(3β,4β,20α)-3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid

CAS Registry Number®

114702-59-9

CAS Name

(3β,4β,20α)-3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid

Molecular Formula

C30H46O5

Molecular Mass

486.68

Cite this Page

(3β,4β,20α)-3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114702-59-9 (retrieved 2024-12-23) (CAS RN: 114702-59-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    318-319 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C30H46O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,25-,26+,27-,28+,29+,30+/m0/s1

InChIKey

InChIKey=MVTZJCYINFKILV-IMMOWNMXSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)C(=O)C[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)CC(=O)C2(C)CCC3(C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1)C

Other Names for this Substance

  • Olean-12-en-29-oic acid, 3,23-dihydroxy-22-oxo-, (3β,4β,20α)-
  • (3β,4β,20α)-3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid
  • 4-Epitriphyllic acid
  • Melilotigenin
  • Yunganogenin K

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.