(3β)-3-Hydroxyursa-12,19-dien-28-oic acid

CAS Registry Number®

6812-98-2

CAS Name

(3β)-3-Hydroxyursa-12,19-dien-28-oic acid

Molecular Formula

C30H46O3

Molecular Mass

454.68

Cite this Page

(3β)-3-Hydroxyursa-12,19-dien-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6812-98-2 (retrieved 2024-11-21) (CAS RN: 6812-98-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    267-268 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,21-24,31H,9-17H2,1-7H3,(H,32,33)/t21-,22+,23-,24-,27-,28+,29+,30-/m0/s1

InChIKey

InChIKey=HKJOHXSLBNLQHF-OXLNSTONSA-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)(C)[C@@H](O)CC5)[H])[H])(C(C)=C(C)CC2)[H]

Canonical SMILES

O=C(O)C12CCC(=C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1)C

Other Names for this Substance

  • Ursa-12,19-dien-28-oic acid, 3-hydroxy-, (3β)-
  • Ursa-12,19-dien-28-oic acid, 3β-hydroxy-
  • Sanguisorbigenin
  • (3β)-3-Hydroxyursa-12,19-dien-28-oic acid
  • 19-Dehydroursolic acid

Deleted or Replaced CAS Registry Numbers

6805-65-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration