(3α,4α,20α)-3-Hydroxyolean-12-ene-23,29-dioic acid

CAS Registry Number®

1174174-26-5

CAS Name

(3α,4α,20α)-3-Hydroxyolean-12-ene-23,29-dioic acid

Molecular Formula

C30H46O5

Molecular Mass

486.68

Cite this Page

(3α,4α,20α)-3-Hydroxyolean-12-ene-23,29-dioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1174174-26-5 (retrieved 2024-12-23) (CAS RN: 1174174-26-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    252 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=ZZWXYBPRSDQAJH-PPASWHMCSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@@](C(O)=O)(C)[C@H](O)CC3)[H])(CC=C4[C@@]2(C)CC[C@]5(C)[C@]4(C[C@@](C(O)=O)(C)CC5)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Olean-12-ene-23,29-dioic acid, 3-hydroxy-, (3α,4α,20α)-
  • (3α,4α,20α)-3-Hydroxyolean-12-ene-23,29-dioic acid
  • Aceriphyllic acid C

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