Withaferin A

Molecular Formula: C₂₈H₃₈O₆

InChI: InChI=1/C28H38O6/c1-14-16(13-33-25(14)32)11-21(29)15(2)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(17)9-10-26(18,19)3/h7-8,15,17-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,17u,18u,19u,20u,21-,23+,24-,26u,27u,28-/m1/s1

InChIKey: InChIKey=CQUCHTRQSNYVGJ-QXKWOTJWBR
SMILES: CC1=C(COC1=O)CC(C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O

Names:
    BRN 1335150
    NSC 273757
    NSC-101088
    Withaferine A
    Withaferin A
    WITHAFERIN DERIV JPR, IOWA U. COMPOUND
    (4beta,5beta,6beta,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone
    5-beta-Ergosta-2,24-dien-26-oic acid, 5,6-beta-epoxy-4-beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)-
    5-beta-ERGOSTA-2,24-DIEN-26-OIC ACID, 5,6-beta-EPOXY-4-beta,22,27-TRIHYDROXY-1-O
    5-19-06-00604 (Beilstein Handbook Reference)

Registries:
    PubChem CID 21199
    PubChem ID 163973