Description
IUPAC Name: (3S,9S,10R,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI: InChI=1S/C28H46O/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/h9-10,18-20,22,24-26,29H,7-8,11-17H2,1-6H3/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
InChIKey: ZKQRGSXITBHHPC-VVQHAZRASA-N
Canonical SMILES: CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
Isomeric SMILES: C[C@H](CC[C@H](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: Ergosta-5,7-dien-3beta-ol; 22,23-Dihydroergosterol; 516-79-0; Dihydroergosterol; Provitamin D4; 5,7-Ergostadienol; 22-dihydroergosterol; AZW48AYG7C; …
Botanical Source: