(3β,4α,21β)-3,21-Dihydroxy-23-oxoolean-12-en-28-oic acid

CAS Registry Number®

152845-76-6

CAS Name

(3β,4α,21β)-3,21-Dihydroxy-23-oxoolean-12-en-28-oic acid

Molecular Formula

C30H46O5

Molecular Mass

486.68

Cite this Page

(3β,4α,21β)-3,21-Dihydroxy-23-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=152845-76-6 (retrieved 2024-12-23) (CAS RN: 152845-76-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=MFGKQCGZFKURGT-BGSMKCEQSA-N

SMILES

C(O)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](C=O)(C)[C@@H](O)CC5)[H])[H])(CC(C)(C)[C@@H](O)C2)[H]

Canonical SMILES

O=CC1(C)C(O)CCC2(C)C1CCC3(C)C2CC=C4C5CC(C)(C)C(O)CC5(C(=O)O)CCC43C

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3,21-dihydroxy-23-oxo-, (3β,4α,21β)-
  • (3β,4α,21β)-3,21-Dihydroxy-23-oxoolean-12-en-28-oic acid
  • Lucyin A

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