Withanolide D

CAS Registry Number®

30655-48-2

CAS Name

Withanolide D

Molecular Formula

C28H38O6

Molecular Mass

470.60

Cite this Page

Withanolide D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30655-48-2 (retrieved 2024-11-22) (CAS RN: 30655-48-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    253-255 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1

InChIKey

InChIKey=SASUFNRGCZMRFD-JCUIILOWSA-N

SMILES

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

Canonical SMILES

O=C1OC(CC(=C1C)C)C(O)(C)C2CCC3C4CC5OC65C(O)C=CC(=O)C6(C)C4CCC32C

Other Names for this Substance

  • Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,20,22-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,22R)-
  • 5β-Ergosta-2,24-dien-26-oic acid, 5,6β-epoxy-4β,20,22-trihydroxy-1-oxo-, δ-lactone, (20S,22R)-
  • 5,6-Epoxy-5H-cyclopenta[a]phenanthrene, ergosta-2,24-dien-26-oic acid deriv.
  • Withanolide D
  • NSC 179841

Deleted or Replaced CAS Registry Numbers

22848-73-3

CAS INSIGHTSTM
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