(4α,16α,20α)-16,23,29-Trihydroxy-3-oxoolean-12-en-28-oic acid

CAS Registry Number®

1332859-38-7

CAS Name

(4α,16α,20α)-16,23,29-Trihydroxy-3-oxoolean-12-en-28-oic acid

Molecular Formula

C30H46O6

Molecular Mass

502.68

Cite this Page

(4α,16α,20α)-16,23,29-Trihydroxy-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=1332859-38-7 (retrieved 2024-11-22) (CAS RN: 1332859-38-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=XRUBFYYNZLBFBN-JYGFFPNFSA-N

SMILES

C(O)(=O)[C@]12[C@](C=3[C@@](C)(C[C@H]1O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](CO)(C)C(=O)CC5)[H])[H])(C[C@@](CO)(C)CC2)[H]

Canonical SMILES

O=C(O)C12CCC(C)(CO)CC2C3=CCC4C5(C)CCC(=O)C(C)(CO)C5CCC4(C)C3(C)CC1O

Other Names for this Substance

  • Olean-12-en-28-oic acid, 16,23,29-trihydroxy-3-oxo-, (4α,16α,20α)-
  • (4α,16α,20α)-16,23,29-Trihydroxy-3-oxoolean-12-en-28-oic acid
  • 16,23,29-Trihydroxy-3-oxoolean-12-en-28-oic acid

CAS INSIGHTSTM
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