Withanolide C

CAS Registry Number®

108030-78-0
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CAS Name

Withanolide C

Molecular Formula

C28H39ClO7

Molecular Mass

523.06

Cite this Page

Withanolide C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=108030-78-0 (retrieved 2024-08-27) (CAS RN: 108030-78-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H39ClO7/c1-15-13-21(36-22(32)16(15)2)25(5,33)28(35)12-11-27(34)18-14-20(31)26(29)9-6-7-19(30)24(26,4)17(18)8-10-23(27,28)3/h6-7,17-18,20-21,31,33-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26-,27+,28-/m0/s1

InChIKey

InChIKey=JEJZNYLQNCIUEG-DEMKYSCBSA-N

SMILES

O[C@]12[C@]3([C@@]([C@]4(C)[C@@](Cl)([C@H](O)C3)CC=CC4=O)(CC[C@]1(C)[C@@]([C@@](C)(O)[C@]5(CC(C)=C(C)C(=O)O5)[H])(O)CC2)[H])[H]

Canonical SMILES

O=C1OC(CC(=C1C)C)C(O)(C)C2(O)CCC3(O)C4CC(O)C5(Cl)CC=CC(=O)C5(C)C4CCC32C

Other Names for this Substance

  • Ergosta-2,24-dien-26-oic acid, 5-chloro-6,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (5α,6β,17α,22R)-
  • Withanolide C