4β-Hydroxywithanolide E

CAS Registry Number®

54334-04-2
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CAS Name

4β-Hydroxywithanolide E

Molecular Formula

C28H38O8

Molecular Mass

502.60

Cite this Page

4β-Hydroxywithanolide E.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54334-04-2 (retrieved 2024-09-07) (CAS RN: 54334-04-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H38O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30,32-34H,8-13H2,1-5H3/t16-,17+,19-,20+,21+,23-,24-,25-,26+,27-,28+/m0/s1

InChIKey

InChIKey=UPBUGICUKQIKTJ-KABTZXSUSA-N

SMILES

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

Canonical SMILES

O=C1OC(CC(=C1C)C)C(O)(C)C2(O)CCC3(O)C4CC5OC65C(O)C=CC(=O)C6(C)C4CCC32C

Other Names for this Substance

  • Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (4β,5β,6β,17α,22R)-
  • 4β-Hydroxywithanolide E
  • NSC 212509