Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-14,17,20,22,28-pentahydroxy-1-oxo-, δ-lactone, (5β,6β,17α,22R)-

CAS Registry Number®

188346-67-0

CAS Name

Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-14,17,20,22,28-pentahydroxy-1-oxo-, δ-lactone, (5β,6β,17α,22R)-

Molecular Formula

C28H38O8

Molecular Mass

502.60

Cite this Page

Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-14,17,20,22,28-pentahydroxy-1-oxo-, δ-lactone, (5β,6β,17α,22R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=188346-67-0 (retrieved 2024-11-22) (CAS RN: 188346-67-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H38O8/c1-15-16(14-29)12-20(35-22(15)31)25(4,32)28(34)11-10-26(33)18-13-21-27(36-21)8-5-6-19(30)24(27,3)17(18)7-9-23(26,28)2/h5-6,17-18,20-21,29,32-34H,7-14H2,1-4H3/t17-,18+,20+,21+,23-,24-,25-,26+,27+,28-/m0/s1

InChIKey

InChIKey=SGTFNLMVIRZWTA-LFCBYZEKSA-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(CO)=C(C)C(=O)O6)[H])O)[H])[H])[H])CC=CC2=O

Canonical SMILES

O=C1OC(CC(=C1C)CO)C(O)(C)C2(O)CCC3(O)C4CC5OC65CC=CC(=O)C6(C)C4CCC32C

Other Names for this Substance

  • Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-14,17,20,22,28-pentahydroxy-1-oxo-, δ-lactone, (5β,6β,17α,22R)-
  • 28-Hydroxywithanolide E

CAS INSIGHTSTM
Targeted protein degrader structure, illustration