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

CAS Registry Number®

92594-02-0

CAS Name

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

Molecular Formula

C28H37ClO7

Molecular Mass

521.04

Cite this Page

Ergosta-2,14,24-trien-26-oic acid, 6-chloro-4,5,17,20,22-pentahydroxy-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=92594-02-0 (retrieved 2024-11-22) (CAS RN: 92594-02-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H37ClO7/c1-14-12-22(36-23(32)15(14)2)26(5,33)27(34)11-9-17-16-13-19(29)28(35)21(31)7-6-20(30)25(28,4)18(16)8-10-24(17,27)3/h6-7,9,16,18-19,21-22,31,33-35H,8,10-13H2,1-5H3/t16-,18-,19-,21-,22+,24-,25-,26-,27-,28-/m0/s1

InChIKey

InChIKey=BSLUVQZIEQFEOT-DWHGKTCXSA-N

SMILES

C[C@]12[C@](O)([C@@H](Cl)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(Cl)C5(O)C(O)C=CC(=O)C5(C)C4CCC32C

Other Names for this Substance

  • Ergosta-2,14,24-trien-26-oic acid, 6-chloro-4,5,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (4β,5β,6α,17α,22R)-
  • (+)-Physalolactone C
  • Physalolactone C

CAS INSIGHTSTM
Targeted protein degrader structure, illustration