Ergosta-2,14,24-trien-26-oic acid, 4,5,6,17,20,22-hexahydroxy-1-oxo-, δ-lactone, (4β,5β,6α,17α,22R)-

CAS Registry Number®

81644-35-1
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CAS Name

Ergosta-2,14,24-trien-26-oic acid, 4,5,6,17,20,22-hexahydroxy-1-oxo-, δ-lactone, (4β,5β,6α,17α,22R)-

Molecular Formula

C28H38O8

Molecular Mass

502.60

Cite this Page

Ergosta-2,14,24-trien-26-oic acid, 4,5,6,17,20,22-hexahydroxy-1-oxo-, δ-lactone, (4β,5β,6α,17α,22R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81644-35-1 (retrieved 2024-09-20) (CAS RN: 81644-35-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=IHIHXNCZVACPKN-WOONZQPCSA-N

SMILES

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

Canonical SMILES

O=C1OC(CC(=C1C)C)C(O)(C)C2(O)CC=C3C4CC(O)C5(O)C(O)C=CC(=O)C5(C)C4CCC32C

Other Names for this Substance

  • Ergosta-2,14,24-trien-26-oic acid, 4,5,6,17,20,22-hexahydroxy-1-oxo-, δ-lactone, (4β,5β,6α,17α,22R)-
  • Withaperuvin B