1.0 2010-04-08 22:10:12 UTC 2019-11-26 03:06:54 UTC FDB012492 (3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol Constituent of Momordica charantia (bitter melon). (3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol is found in many foods, some of which are cucumber, bitter gourd, fruits, and watermelon. (3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol (3beta,5alpha,22E,24S)-Stigmasta-7,22,25-trien-3-ol C29H46O 410.6749 410.354866094 14-[(3E)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol 14-[(3E)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol 34991-42-9 CCC(\C=C\C(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C)C(C)=C InChI=1S/C29H46O/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/h8-9,11,20-23,25-27,30H,2,7,10,12-18H2,1,3-6H3/b9-8+ IMWBKGMKWXIXEQ-CMDGGOBGSA-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 7.58 ALOGPS logs -6.43 ALOGPS solubility 1.52e-04 g/l ALOGPS melting_point Mp 157-161° logp 7.13 ChemAxon pka_strongest_acidic 18.36 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac 14-[(3E)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol ChemAxon average_mass 410.6749 ChemAxon mono_mass 410.354866094 ChemAxon smiles CCC(\C=C\C(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C)C(C)=C ChemAxon formula C29H46O ChemAxon inchi InChI=1S/C29H46O/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/h8-9,11,20-23,25-27,30H,2,7,10,12-18H2,1,3-6H3/b9-8+ ChemAxon inchikey IMWBKGMKWXIXEQ-CMDGGOBGSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 130.66 ChemAxon polarizability 51.99 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24325 Specdb::CMs 43759 Specdb::CMs 153127 Specdb::MsMs 77886 Specdb::MsMs 77887 Specdb::MsMs 77888 Specdb::MsMs 138117 Specdb::MsMs 138118 Specdb::MsMs 138119 Specdb::MsMs 2351437 Specdb::MsMs 2351438 Specdb::MsMs 2351439 Specdb::MsMs 2584358 Specdb::MsMs 2584359 Specdb::MsMs 2584360 HMDB34196 #<Reference:0x000055ce31ce77f0> Bitter gourd Type 1 specific Momordica charantia 3673 Cucumber Type 1 specific Cucumis sativus 3659 Fruits Unknown generic Watermelon Type 1 specific Citrullus lanatus 3654