1.0 2010-04-08 22:06:46 UTC 2025-11-18 22:59:37 UTC FDB005617 Simiarenol Simiarenol belongs to steroids and steroid derivatives class of compounds. Those are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred. Simiarenol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Simiarenol can be found in soy bean, which makes simiarenol a potential biomarker for the consumption of this food product. D:B-Friedo-B':A'-neogammacer-5-en-3-ol, (3beta)- C30H50O 426.7174 426.386166222 2,5,10,13,18,18-hexamethyl-6-(propan-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-19-en-17-ol 6-isopropyl-2,5,10,13,18,18-hexamethylpentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-19-en-17-ol 1615-94-7 CC(C)C1CCC2C1(C)CCC1(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC21C InChI=1S/C30H50O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-25,31H,9,11-18H2,1-8H3 XVXPXUMUGATHPD-UHFFFAOYSA-N belongs to the class of organic compounds known as steroids and steroid derivatives. Steroids and steroid derivatives are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred. Steroids and steroid derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Steroid logp 7.05 ALOGPS logs -7.08 ALOGPS solubility 3.52e-05 g/l ALOGPS logp 7.39 ChemAxon pka_strongest_acidic 19.41 ChemAxon pka_strongest_basic -0.87 ChemAxon iupac 2,5,10,13,18,18-hexamethyl-6-(propan-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-19-en-17-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles CC(C)C1CCC2C1(C)CCC1(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC21C ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-25,31H,9,11-18H2,1-8H3 ChemAxon inchikey XVXPXUMUGATHPD-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 131.98 ChemAxon polarizability 53.24 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 61680 Specdb::MsMs 61681 Specdb::MsMs 61682 Specdb::MsMs 118254 Specdb::MsMs 118255 Specdb::MsMs 118256 Specdb::MsMs 3601955 Specdb::MsMs 3601956 Specdb::MsMs 3601957 Specdb::MsMs 3601958 Specdb::MsMs 3601959 Specdb::MsMs 3601960 Soy bean Type 1 specific Glycine max 3847