(4β,22β)-23-Hydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-3-oxoolean-12-en-28-oic acid

CAS Registry Number®

561-47-7
No image available.

CAS Name

(4β,22β)-23-Hydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-3-oxoolean-12-en-28-oic acid

Molecular Formula

C35H52O6

Molecular Mass

568.78

Cite this Page

(4β,22β)-23-Hydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-3-oxoolean-12-en-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=561-47-7 (retrieved 2024-05-18) (CAS RN: 561-47-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H52O6/c1-9-21(2)28(38)41-27-19-30(3,4)18-23-22-10-11-25-31(5)14-13-26(37)32(6,20-36)24(31)12-15-34(25,8)33(22,7)16-17-35(23,27)29(39)40/h9-10,23-25,27,36H,11-20H2,1-8H3,(H,39,40)/b21-9-/t23-,24+,25+,27+,31-,32+,33+,34+,35-/m0/s1

InChIKey

InChIKey=NZQARWYKOBSGNY-XKOUXHTLSA-N

SMILES

C(O)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@](CO)(C)C(=O)CC5)[H])[H])(CC(C)(C)C[C@H]2OC(/C(=C\C)/C)=O)[H]

Canonical SMILES

O=C(OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(=O)C(C)(CO)C5CCC4(C)C3(C)CCC12C(=O)O)C(=CC)C

Other Names for this Substance

  • Olean-12-en-28-oic acid, 23-hydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-3-oxo-, (4β,22β)-
  • Olean-12-en-28-oic acid, 22β,24-dihydroxy-3-oxo-, 22-(2-methylcrotonate), (Z)-
  • Icterogenin
  • Olean-12-en-28-oic acid, 23-hydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-3-oxo-, (4β,22β)-
  • (4β,22β)-23-Hydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-3-oxoolean-12-en-28-oic acid

Deleted or Replaced CAS Registry Numbers

17660-28-5, 18530-66-0, 22728-83-2

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser