1.0 2010-04-08 22:10:22 UTC 2019-11-26 03:07:40 UTC FDB012817 Stigmasteryl palmitate Isolated from fennel (Foeniculum vulgare) roots and seeds. Stigmasteryl palmitate is found in fennel, herbs and spices, and anise. Palmitoylstigmasterol Stigmasterol palmitate Stigmasteryl hexadecanoate Stigmasteryl palmitate C45H78O2 651.0996 650.60018174 14-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl hexadecanoate 14-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl hexadecanoate 2308-84-1 CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)\C=C\C(CC)C(C)C InChI=1S/C45H78O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h23-25,34-36,38-42H,8-22,26-33H2,1-7H3/b24-23+ OHLDETMXEXJUDZ-WCWDXBQESA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic homopolycyclic compounds C24-propyl sterols and derivatives Carbonyl compounds Carboxylic acid esters Delta-5-steroids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Steroid esters Aliphatic homopolycyclic compound C24-propyl-sterol-skeleton Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta-5-steroid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Steroid Steroid ester Triterpenoid logp 10.61 ALOGPS logs -8.04 ALOGPS solubility 5.92e-06 g/l ALOGPS melting_point Mp 94-96° logp 14.4 ChemAxon pka_strongest_basic -7 ChemAxon iupac 14-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl hexadecanoate ChemAxon average_mass 651.0996 ChemAxon mono_mass 650.60018174 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)\C=C\C(CC)C(C)C ChemAxon formula C45H78O2 ChemAxon inchi InChI=1S/C45H78O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h23-25,34-36,38-42H,8-22,26-33H2,1-7H3/b24-23+ ChemAxon inchikey OHLDETMXEXJUDZ-WCWDXBQESA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 204.47 ChemAxon polarizability 85.72 ChemAxon rotatable_bond_count 21 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20169 Specdb::MsMs 46629 Specdb::MsMs 46630 Specdb::MsMs 46631 Specdb::MsMs 157452 Specdb::MsMs 157453 Specdb::MsMs 157454 Specdb::MsMs 2664919 Specdb::MsMs 2664920 Specdb::MsMs 2664921 Specdb::MsMs 3016404 Specdb::MsMs 3016405 Specdb::MsMs 3016406 HMDB34420 #<Reference:0x000055ce334d5e70> Amaranth Type 1 specific Amaranthus 3564 Anise Type 1 specific Pimpinella anisum 271192 Annual wild rice Type 1 specific Zizania aquatica 75727 Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Bulgur Type 2 specific Cereals and cereal products Unknown generic Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Fennel Type 1 specific Foeniculum vulgare 48038 Flour Type 2 specific Hard wheat Type 1 specific Triticum durum 4567 Herbs and Spices Unknown generic Millet Type 1 specific Panicum miliaceum 4540 Oat Type 1 specific Avena sativa 4498 Oriental wheat Type 1 specific Triticum turanicum 376534 Quinoa Type 1 specific Chenopodium quinoa 63459 Red rice Type 1 specific Oryza rufipogon 4529 Rice Type 1 specific Oryza sativa 4530 Rye Type 1 specific Secale cereale 4550 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Spelt Type 1 specific Triticum spelta 58933 Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Wheat Type 1 specific Triticum 4564 Wild rice Type 1 specific Zizania 15949