1.0 2010-04-08 22:10:19 UTC 2019-11-26 03:07:26 UTC FDB012709 (3beta,4alpha,5alpha,24Z)-4-Methylstigmasta-8(14),24(28)-dien-3-ol Constituent of Phaseolus vulgaris (kidney bean). (3beta,4alpha,5alpha,24Z)-4-Methylstigmasta-8(14),24(28)-dien-3-ol is found in pulses, yellow wax bean, and green bean. C30H50O 426.7174 426.386166222 2,6,15-trimethyl-14-[(5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-10-en-5-ol 14-[(5Z)-5-isopropylhept-5-en-2-yl]-2,6,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-10-en-5-ol 78285-84-4 C\C=C(\CCC(C)C1CCC2=C3CCC4C(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/h8,19-21,24-25,27-28,31H,9-18H2,1-7H3/b22-8- AKVZDXJZUDQNTI-UYOCIXKTSA-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-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Triterpenoids 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Stigmastane-skeleton Triterpenoid logp 7.14 ALOGPS logs -6.07 ALOGPS solubility 3.61e-04 g/l ALOGPS logp 7.76 ChemAxon pka_strongest_acidic 18.89 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 2,6,15-trimethyl-14-[(5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-10-en-5-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles C\C=C(\CCC(C)C1CCC2=C3CCC4C(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/h8,19-21,24-25,27-28,31H,9-18H2,1-7H3/b22-8- ChemAxon inchikey AKVZDXJZUDQNTI-UYOCIXKTSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 134.82 ChemAxon polarizability 55.33 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13421 Specdb::CMs 43832 Specdb::CMs 172034 Specdb::MsMs 46518 Specdb::MsMs 46519 Specdb::MsMs 46520 Specdb::MsMs 148194 Specdb::MsMs 148195 Specdb::MsMs 148196 Specdb::MsMs 2717712 Specdb::MsMs 2717713 Specdb::MsMs 2717714 Specdb::MsMs 2963811 Specdb::MsMs 2963812 Specdb::MsMs 2963813 HMDB34348 #<Reference:0x000055ce31ab3d30> Green bean Type 1 specific Phaseolus vulgaris 3885 Pulses Unknown generic Yellow wax bean Type 1 specific Phaseolus vulgaris 3885