Withanolide B

CAS Registry Number®

56973-41-2
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CAS Name

Withanolide B

Molecular Formula

C28H38O5

Molecular Mass

454.60

Cite this Page

Withanolide B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=56973-41-2 (retrieved 2024-04-27) (CAS RN: 56973-41-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1

InChIKey

InChIKey=ZTEVDTFJUUJBLP-MBMSZCMESA-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@H](C)[C@]6(CC(C)=C(C)C(=O)O6)[H])(CC5)[H])[H])[H])[H]

Canonical SMILES

O=C1OC(CC(=C1C)C)C(C)C2CCC3C4C5OC5C6(O)CC=CC(=O)C6(C)C4CCC23C

Other Names for this Substance

  • Ergosta-2,24-dien-26-oic acid, 6,7-epoxy-5,22-dihydroxy-1-oxo-, δ-lactone, (5α,6α,7α,22R)-
  • Withanolide B
  • Lycium substance B

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