1.0 2010-04-08 22:06:08 UTC 2019-11-26 02:59:52 UTC FDB004195 5-Dehydro-avenasterol 5-dehydro-avenasterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5-dehydro-avenasterol can be found in a number of food items such as common hazelnut, garden onion, corn, and papaya, which makes 5-dehydro-avenasterol a potential biomarker for the consumption of these food products. C29H50O 414.7067 414.386166222 (2S,5S,15R)-2,15-dimethyl-14-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol (2S,5S,15R)-14-[(2R,5Z)-5-isopropylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol C\C=C(\CC[C@@H](C)C1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,19-20,22-27,30H,8-18H2,1-6H3/b21-7-/t20-,22?,23+,24?,25?,26?,27?,28+,29-/m1/s1 CQSRUKJFZKVYCY-FNGUMXSSSA-N belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Stigmastanes and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives Aliphatic homopolycyclic compounds 3-beta-hydroxysteroids C24-propyl sterols and derivatives Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Triterpenoids 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound C24-propyl-sterol-skeleton Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Stigmastane-skeleton Triterpenoid logp 7.17 ALOGPS logs -7.33 ALOGPS solubility 1.94e-05 g/l ALOGPS logp 7.84 ChemAxon pka_strongest_acidic 18.3 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (2S,5S,15R)-2,15-dimethyl-14-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol ChemAxon average_mass 414.7067 ChemAxon mono_mass 414.386166222 ChemAxon smiles C\C=C(\CC[C@@H](C)C1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C ChemAxon formula C29H50O ChemAxon inchi InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,19-20,22-27,30H,8-18H2,1-6H3/b21-7-/t20-,22?,23+,24?,25?,26?,27?,28+,29-/m1/s1 ChemAxon inchikey CQSRUKJFZKVYCY-FNGUMXSSSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 129.77 ChemAxon polarizability 53.92 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 64263 Specdb::MsMs 64264 Specdb::MsMs 64265 Specdb::MsMs 121374 Specdb::MsMs 121375 Specdb::MsMs 121376 Specdb::MsMs 3600116 Specdb::MsMs 3600117 Specdb::MsMs 3600118 Specdb::MsMs 3600119 Specdb::MsMs 3600120 Specdb::MsMs 3600121 Common hazelnut Type 1 specific Corylus avellana 13451 Corn Type 1 specific Zea mays 4577 Garden onion Type 1 specific Allium cepa 4679 Oat Type 1 specific Avena sativa 4498 Papaya Type 1 specific Carica papaya 3649 Sesame Type 1 specific Sesamum orientale 4182 Sunflower Type 1 specific Helianthus annuus 4232