Description
IUPAC Name: (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methyl-5-methylidenehept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI: InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18,20,22,24-26,29H,3,11-17H2,1-2,4-6H3/b8-7+/t20-,22+,24-,25+,26+,27+,28-/m1/s1
InChIKey: SQFQJKZSFOZDJY-CVGLIYDESA-N
Canonical SMILES: CC(C)C(=C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
Isomeric SMILES: C[C@H](/C=C/C(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Synonyms: 24(28)-Dehydroergosterol; 29560-24-5; Ergosta-5,7,22,24(28)-tetraen-3beta-ol; 5,7,22,24(28)-Ergostatetraenol; Ergosta-5,7,22,24(24(1))-tetraen-3beta-ol; (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methyl-5-methylidenehept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; (22E)-24-methylcholesta-5,7,22,24(24(1))-tetraen-3beta-ol; Ergosta-5,7,22,24(241)-tetraen-3beta-ol; …
Botanical Source: