Ergost-2-en-26-oic acid, 6,7-epoxy-5,20,22-trihydroxy-1-oxo-, δ-lactone, (5α,6α,7α,22R,25R)-

CAS Registry Number®

108157-59-1

CAS Name

Ergost-2-en-26-oic acid, 6,7-epoxy-5,20,22-trihydroxy-1-oxo-, δ-lactone, (5α,6α,7α,22R,25R)-

Molecular Formula

C28H40O6

Molecular Mass

472.61

Cite this Page

Ergost-2-en-26-oic acid, 6,7-epoxy-5,20,22-trihydroxy-1-oxo-, δ-lactone, (5α,6α,7α,22R,25R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=108157-59-1 (retrieved 2024-11-22) (CAS RN: 108157-59-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1

InChIKey

InChIKey=MLMDWCVFKUVZGH-AKAZKRMISA-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@@](C)(O)[C@]6(C[C@H](C)[C@@H](C)C(=O)O6)[H])(CC5)[H])[H])[H])[H]

Canonical SMILES

O=C1OC(CC(C)C1C)C(O)(C)C2CCC3C4C5OC5C6(O)CC=CC(=O)C6(C)C4CCC32C

Other Names for this Substance

  • Ergost-2-en-26-oic acid, 6,7-epoxy-5,20,22-trihydroxy-1-oxo-, δ-lactone, (5α,6α,7α,22R,25R)-
  • Ixocarpanolide
  • (+)-Ixocarpanolide

Deleted or Replaced CAS Registry Numbers

131749-57-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration