1.0 2010-04-08 22:11:39 UTC 2025-11-19 00:52:45 UTC FDB015116 Schleichol 1 Constituent of the famine food Schleichera oleosa 7-Methoxystigmast-5-en-3-ol Schleichol 1 C30H52O2 444.7327 444.396730908 14-(5-ethyl-6-methylheptan-2-yl)-9-methoxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol 14-(5-ethyl-6-methylheptan-2-yl)-9-methoxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol 256445-66-6 CCC(CCC(C)C1CCC2C3C(OC)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C InChI=1S/C30H52O2/c1-8-21(19(2)3)10-9-20(4)24-11-12-25-28-26(14-16-30(24,25)6)29(5)15-13-23(31)17-22(29)18-27(28)32-7/h18-21,23-28,31H,8-17H2,1-7H3 LJJLFLNKMQSUFO-UHFFFAOYSA-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-hydroxy delta-5-steroids C24-propyl sterols and derivatives Cyclic alcohols and derivatives Delta-5-steroids Dialkyl ethers Hydrocarbon derivatives Secondary alcohols Triterpenoids 3-hydroxy-delta-5-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound C24-propyl-sterol-skeleton Cyclic alcohol Delta-5-steroid Dialkyl ether Ether Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Stigmastane-skeleton Triterpenoid logp 6.42 ALOGPS logs -7.31 ALOGPS solubility 2.19e-05 g/l ALOGPS melting_point Mp 82-88° logp 7.33 ChemAxon pka_strongest_acidic 18.2 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 14-(5-ethyl-6-methylheptan-2-yl)-9-methoxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol ChemAxon average_mass 444.7327 ChemAxon mono_mass 444.396730908 ChemAxon smiles CCC(CCC(C)C1CCC2C3C(OC)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C ChemAxon formula C30H52O2 ChemAxon inchi InChI=1S/C30H52O2/c1-8-21(19(2)3)10-9-20(4)24-11-12-25-28-26(14-16-30(24,25)6)29(5)15-13-23(31)17-22(29)18-27(28)32-7/h18-21,23-28,31H,8-17H2,1-7H3 ChemAxon inchikey LJJLFLNKMQSUFO-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 135.96 ChemAxon polarizability 56.45 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 100938 Specdb::MsMs 100939 Specdb::MsMs 100940 Specdb::MsMs 166413 Specdb::MsMs 166414 Specdb::MsMs 166415 Specdb::MsMs 2351755 Specdb::MsMs 2351756 Specdb::MsMs 2351757 Specdb::MsMs 2584478 Specdb::MsMs 2584479 Specdb::MsMs 2584480 Specdb::CMs 11732 Specdb::CMs 44781 Specdb::CMs 147792 HMDB0036253