(5α,7α,13α)-7-(Acetyloxy)-21,23-epoxy-16-hydroxy-4,4,8-trimethyl-24-norchola-1,16,20,22-tetraene-3,15-dione

CAS Registry Number®

19891-71-5

CAS Name

(5α,7α,13α)-7-(Acetyloxy)-21,23-epoxy-16-hydroxy-4,4,8-trimethyl-24-norchola-1,16,20,22-tetraene-3,15-dione

Molecular Formula

C28H34O6

Molecular Mass

466.57

Cite this Page

(5α,7α,13α)-7-(Acetyloxy)-21,23-epoxy-16-hydroxy-4,4,8-trimethyl-24-norchola-1,16,20,22-tetraene-3,15-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19891-71-5 (retrieved 2025-02-19) (CAS RN: 19891-71-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H34O6/c1-15(29)34-20-13-18-25(2,3)19(30)8-11-26(18,4)17-7-10-27(5)21(16-9-12-33-14-16)22(31)23(32)24(27)28(17,20)6/h8-9,11-12,14,17-18,20,24,31H,7,10,13H2,1-6H3/t17-,18+,20-,24-,26-,27+,28+/m1/s1

InChIKey

InChIKey=PZGKVFBYHBRVQU-XUODMKIHSA-N

SMILES

C[C@]12[C@]3([C@](C)(C(=C(O)C3=O)C=4C=COC4)CC[C@@]1([C@]5(C)[C@@](C[C@H]2OC(C)=O)(C(C)(C)C(=O)C=C5)[H])[H])[H]

Canonical SMILES

O=C(OC1CC2C(C=CC(=O)C2(C)C)(C)C3CCC4(C(C5=COC=C5)=C(O)C(=O)C4C13C)C)C

Other Names for this Substance

  • 24-Norchola-1,16,20,22-tetraene-3,15-dione, 7-(acetyloxy)-21,23-epoxy-16-hydroxy-4,4,8-trimethyl-, (5α,7α,13α)-
  • 24-Nor-5α,13α-chola-1,16,20,22-tetraene-3,15-dione, 21,23-epoxy-7α,16-dihydroxy-4,4,8-trimethyl-, 7-acetate
  • (5α,7α,13α)-7-(Acetyloxy)-21,23-epoxy-16-hydroxy-4,4,8-trimethyl-24-norchola-1,16,20,22-tetraene-3,15-dione
  • 7-Acetyl-16,17-dehydro-16-hydroxyneotrichilenone

CAS INSIGHTSTM
Lithium-ion battery