1.0 2010-04-08 22:06:48 UTC 2019-11-26 03:00:44 UTC FDB005711 Campest-7-en-beta-ol Campest-7-en-beta-ol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Campest-7-en-beta-ol can be found in sunflower, which makes campest-7-en-beta-ol a potential biomarker for the consumption of this food product. C28H46O 398.6642 398.354866094 (2S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-one (2S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-one CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3=CCC4CC(=O)CC[C@]4(C)C3CC[C@]12C InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-21,24-26H,7-9,11-17H2,1-6H3/t19-,20-,21?,24?,25?,26?,27+,28-/m1/s1 FFLCKIGPXUHXHP-HLCBHZKQSA-N belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Ergosterols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Aliphatic homopolycyclic compounds 3-oxo delta-7-steroids Cyclic ketones Delta-7-steroids Hydrocarbon derivatives Organic oxides 3-oxo-delta-7-steroid 3-oxosteroid Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Delta-7-steroid Ergosterol-skeleton Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid logp 7.23 ALOGPS logs -7.15 ALOGPS solubility 2.85e-05 g/l ALOGPS logp 7.61 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac (2S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-one ChemAxon average_mass 398.6642 ChemAxon mono_mass 398.354866094 ChemAxon smiles CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3=CCC4CC(=O)CC[C@]4(C)C3CC[C@]12C ChemAxon formula C28H46O ChemAxon inchi InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-21,24-26H,7-9,11-17H2,1-6H3/t19-,20-,21?,24?,25?,26?,27+,28-/m1/s1 ChemAxon inchikey FFLCKIGPXUHXHP-HLCBHZKQSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 124.14 ChemAxon polarizability 51.2 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 106332 Specdb::MsMs 106333 Specdb::MsMs 106334 Specdb::MsMs 173049 Specdb::MsMs 173050 Specdb::MsMs 173051 Specdb::MsMs 3602096 Specdb::MsMs 3602097 Specdb::MsMs 3602098 Specdb::MsMs 3602099 Specdb::MsMs 3602100 Specdb::MsMs 3602101 Sunflower Type 1 specific Helianthus annuus 4232