(3β,4β,20α)-3,23-Dihydroxyolean-12-en-29-oic acid

CAS Registry Number®

86425-21-0
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CAS Name

(3β,4β,20α)-3,23-Dihydroxyolean-12-en-29-oic acid

Molecular Formula

C30H48O4

Molecular Mass

472.70

Cite this Page

(3β,4β,20α)-3,23-Dihydroxyolean-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=86425-21-0 (retrieved 2024-09-19) (CAS RN: 86425-21-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H48O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,25+,26+,27-,28+,29+,30+/m0/s1

InChIKey

InChIKey=VVWRIMSHBALFKN-MMZUORMZSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(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)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-, (3β,4β,20α)-
  • (3β,4β,20α)-3,23-Dihydroxyolean-12-en-29-oic acid
  • (+)-Azukisapogenol
  • Azukisapogenol

Deleted or Replaced CAS Registry Numbers

1174209-20-1