(3β,4α,20β)-3,23-Dihydroxyolean-12-ene-28,29-dioic acid

CAS Registry Number®

56283-68-2

CAS Name

(3β,4α,20β)-3,23-Dihydroxyolean-12-ene-28,29-dioic acid

Molecular Formula

C30H46O6

Molecular Mass

502.68

Cite this Page

(3β,4α,20β)-3,23-Dihydroxyolean-12-ene-28,29-dioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56283-68-2 (retrieved 2024-11-08) (CAS RN: 56283-68-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H46O6/c1-25(23(33)34)12-14-30(24(35)36)15-13-28(4)18(19(30)16-25)6-7-21-26(2)10-9-22(32)27(3,17-31)20(26)8-11-29(21,28)5/h6,19-22,31-32H,7-17H2,1-5H3,(H,33,34)(H,35,36)/t19-,20+,21+,22-,25-,26-,27-,28+,29+,30-/m0/s1

InChIKey

InChIKey=CLXOLTFMHAXJST-MCJGSMSQSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CC[C@@](C(O)=O)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)([C@@](CO)(C)[C@@H](O)CC5)[H])[H]

Canonical SMILES

O=C(O)C1(C)CCC2(C(=O)O)CCC3(C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1)C

Other Names for this Substance

  • Olean-12-ene-28,29-dioic acid, 3,23-dihydroxy-, (3β,4α,20β)-
  • (3β,4α,20β)-3,23-Dihydroxyolean-12-ene-28,29-dioic acid
  • Esculentic acid
  • Esculentic acid (Phytolacca)

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles