Withaferin A

CAS Registry Number®

5119-48-2
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CAS Name

Withaferin A

Molecular Formula

C28H38O6

Molecular Mass

470.60

Cite this Page

Withaferin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5119-48-2 (retrieved 2024-04-19) (CAS RN: 5119-48-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    230-232 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1

InChIKey

InChIKey=DBRXOUCRJQVYJQ-CKNDUULBSA-N

SMILES

C[C@]12[C@]3([C@](O3)(C[C@@]4([C@@]1(CC[C@@]5(C)[C@]4(CC[C@@]5([C@H](C)[C@]6(CC(C)=C(CO)C(=O)O6)[H])[H])[H])[H])[H])[H])[C@@H](O)C=CC2=O

Canonical SMILES

O=C1OC(CC(=C1CO)C)C(C)C2CCC3C4CC5OC65C(O)C=CC(=O)C6(C)C4CCC23C

Other Names for this Substance

  • Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,22R)-
  • Withaferin A
  • 5β-Ergosta-2,24-dien-26-oic acid, 5,6β-epoxy-4β,22,27-trihydroxy-1-oxo-, δ-lactone, (20S,22R)-
  • 5,6-Epoxy-5H-cyclopenta[a]phenanthrene, ergosta-2,24-dien-26-oic acid deriv.
  • Withaferine

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Deleted or Replaced CAS Registry Numbers

5196-55-4, 22848-77-7, 47738-04-5, 1246849-97-7

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