1.0 2010-04-08 22:04:36 UTC 2025-11-18 22:19:11 UTC FDB000518 (3b,4b,5a,24Z)-4-Methylstigmasta-7,24(28)-dien-3-ol Constituent of Calendula officinalis (pot marigold). (3b,4b,5a,24Z)-4-Methylstigmasta-7,24(28)-dien-3-ol (3beta,4beta,5alpha,24Z)-4-Methylstigmasta-7,24(28)-dien-3-ol C30H50O 426.7174 426.386166222 2,6,15-trimethyl-14-[(5E)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol 14-[(5E)-5-isopropylhept-5-en-2-yl]-2,6,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol 21490-23-3 C\C=C(/CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C)C(C)C InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8+ LPZCCMIISIBREI-GZIVZEMBSA-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-7-steroids Cyclic alcohols and derivatives Delta-7-steroids Hydrocarbon derivatives Secondary alcohols Triterpenoids 3-hydroxy-delta-7-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Delta-7-steroid Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Stigmastane-skeleton Triterpenoid logp 7.85 ALOGPS logs -6.75 ALOGPS solubility 7.56e-05 g/l ALOGPS melting_point Mp 165° logp 7.8 ChemAxon pka_strongest_acidic 18.96 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 2,6,15-trimethyl-14-[(5E)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles C\C=C(/CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C)C(C)C ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8+ ChemAxon inchikey LPZCCMIISIBREI-GZIVZEMBSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 135.09 ChemAxon polarizability 54 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22675 Specdb::CMs 41343 Specdb::CMs 136232 Specdb::CMs 143966 Specdb::MsMs 81522 Specdb::MsMs 81523 Specdb::MsMs 81524 Specdb::MsMs 142644 Specdb::MsMs 142645 Specdb::MsMs 142646 Specdb::MsMs 2668612 Specdb::MsMs 2668613 Specdb::MsMs 2668614 Specdb::MsMs 3013274 Specdb::MsMs 3013275 Specdb::MsMs 3013276 HMDB0029420