vitamin D4

Molecular Formula: C₂₈H₄₆O

InChI: InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1

InChIKey: InChIKey=DIPPFEXMRDPFBK-JPWDPSJFBS
SMILES: [H][C@@]1(CC[C@@]2([H])C(\CCC[C@]12C)=C\C=C3\C[C@@H](O)CCC3=C)[C@H](C)CC[C@H](C)C(C)C

CAS number 511-28-4

Names:
    vitamin D4
    (1S,3Z)-3-[(2E)-2-[(1R,3aR,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
    (24S)-methylcalciol
    (3β,5Z,7E)-9,10-secoergosta-5,7,10(19)-trien-3-ol
    (5Z,7E)-(3S)-9,10-secoergosta-5,7,10(19)-trien-3-ol
    22,23-dihydroercalciol
    22,23-dihydroergocalciferol

Registries:
    PubChem CID 5460703
    Beilstein =3221782
    CAS 511-28-4 (from NIST)
    ChEBI 33237
    PubChem ID 11688294