Provitamin D3

Molecular Formula: C27H44O


InChI: InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1

InChIKey: InChIKey=UCTLRSWJYQTBFZ-DDPQNLDTBZ
SMILES: [H][[email protected]@]1(CC[[email protected]@]2([H])C3=CC=C4C[[email protected]@H](O)CC[[email protected]]4(C)[[email protected]@]3([H])CC[[email protected]]12C)[[email protected]](C)CCCC(C)C

CAS number 434-16-2

Names:
    Cholesta-5,7-dien-3beta-ol
    cholesta-5,7-dien-3beta-ol
    cholesta-5,7-dien-3β-ol
    Provitamin D3
    (3S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    (3β)-cholesta-5,7-dien-3-ol
    5,7-cholestadien-3β-ol
    5,7-cholestadien-3-β-ol
    7-Dehydrocholesterol

Registries:
    PubChem CID 439423
    Beilstein =2224615
    CAS 434-16-2 (from NIST)
    ChEBI 17759
    Gmelin 893079
    Kegg C01164
    PubChem ID 10298334
    PubChem ID 4391