Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:10:46 UTC |
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Update date | 2018-05-29 01:05:47 UTC |
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Primary ID | FDB013533 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | (7R,10Z)-alpha-Santal-10-en-12-ol |
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Description | alpha-Santal-10-en-12-ol belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review a small amount of articles have been published on alpha-Santal-10-en-12-ol. |
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CAS Number | 115-71-9 |
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Structure | |
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Synonyms | Synonym | Source |
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a-Santal-10-en-12-ol | Generator | Α-santal-10-en-12-ol | Generator | 5-(2,3-dimethyltricyclo[2.2.1.02,6]Hept-3-yl)-2-methyl-2-penten-1-ol, 9ci | HMDB | a-Santalol | HMDB | (+)-α-santalol | biospider | (z)- α-santalool | biospider | (z)-alpha-santalol | biospider | alpha-Santalol | biospider | Argeol | biospider | Cis-α-santalol | biospider | Cis-alpha-santalol | biospider | D-α-santalol | biospider | D-alpha-santalol | biospider | Sandal | biospider | Santalol a | biospider | Santalol, alpha- | biospider |
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Predicted Properties | |
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Chemical Formula | C15H24O |
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IUPAC name | (2Z)-5-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}-2-methylpent-2-en-1-ol |
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InChI Identifier | InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5- |
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InChI Key | PDEQKAVEYSOLJX-YHYXMXQVSA-N |
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Isomeric SMILES | C\C(CO)=C\CCC1(C)C2CC3C(C2)C13C |
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Average Molecular Weight | 220.3505 |
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Monoisotopic Molecular Weight | 220.18271539 |
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Classification |
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Description | Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Sesquiterpenoids |
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Direct Parent | Sesquiterpenoids |
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Alternative Parents | |
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Substituents | - Santalane sesquiterpenoid
- Sesquiterpenoid
- Fatty alcohol
- Fatty acyl
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Ontology | No ontology term |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | C 81.76%; H 10.98%; O 7.26% | DFC |
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Melting Point | Not Available | |
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Boiling Point | Bp14 166-167° | DFC |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | [a]23D +17.5 (c, 3.3 in CHCl3) | DFC |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | alpha-Santal-10-en-12-ol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-05tr-5920000000-5c94c4b713c93cbd292a | Spectrum | Predicted GC-MS | alpha-Santal-10-en-12-ol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00bi-7950000000-4aca81a01aa3a0860646 | Spectrum | Predicted GC-MS | alpha-Santal-10-en-12-ol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0fk9-1290000000-9da9dd3a4ca1d6f1364f | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0uk9-4970000000-31c14b6de0a0ce1c016e | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-01bj-5900000000-beffbb9516ff30028ef1 | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0090000000-f1a065a990b21cc00e02 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-0390000000-d0e410ea849ac48ee63e | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-059i-4910000000-163a57db7e33ebb82221 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0090000000-4af4c4ee1c4acef7e18b | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-0090000000-fa53349ff4f5af0ce1cd | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014i-0490000000-1a6295279bacd86d0b4e | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-0790000000-4de1cf3305d07674a52a | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00e9-4940000000-bf032b605a0554179f3c | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00lr-9100000000-d8f4c523be4d0071a46c | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 4444863 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C09719 |
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Pubchem Compound ID | 5281531 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 10330 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB34940 |
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CRC / DFC (Dictionary of Food Compounds) ID | JDZ70-D:JDZ72-F |
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EAFUS ID | 3368 |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | C00003182 |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | rw1343671 |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Flavor | Citations |
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woody |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| sandalwood |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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