Withanolide A

CAS Registry Number®

32911-62-9

CAS Name

Withanolide A

Molecular Formula

C28H38O6

Molecular Mass

470.60

Cite this Page

Withanolide A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=32911-62-9 (retrieved 2024-11-22) (CAS RN: 32911-62-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    305 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1

InChIKey

InChIKey=DXWHOKCXBGLTMQ-SFQAJKIESA-N

SMILES

C[C@@]12[C@@]3([C@@]([C@]4([C@](O4)([C@@]1(O)CC=CC2=O)[H])[H])([C@]5([C@](C)(CC3)[C@@]([C@@](C)(O)[C@]6(CC(C)=C(C)C(=O)O6)[H])(CC5)[H])[H])[H])[H]

Canonical SMILES

O=C1OC(CC(=C1C)C)C(O)(C)C2CCC3C4C5OC5C6(O)CC=CC(=O)C6(C)C4CCC32C

Other Names for this Substance

  • Ergosta-2,24-dien-26-oic acid, 6,7-epoxy-5,20,22-trihydroxy-1-oxo-, δ-lactone, (5α,6α,7α,22R)-
  • 5α-Ergosta-2,24-dien-26-oic acid, 6α,7α-epoxy-5,20,22-trihydroxy-1-oxo-, δ-lactone, (22R)-
  • 6,7-Epoxy-1H-cyclopenta[a]phenanthrene, ergosta-2,24-dien-26-oic acid deriv.
  • 5,20α-Dihydroxy-6α,7α-epoxy-1-oxowitha-2,24-dienolide
  • Withaniol

View All

Deleted or Replaced CAS Registry Numbers

2390452-42-1, 2390452-66-9

CAS INSIGHTSTM
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