Ursonic acid

CAS Registry Number®

6246-46-4

CAS Name

Ursonic acid

Molecular Formula

C30H46O3

Molecular Mass

454.68

Cite this Page

Ursonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6246-46-4 (retrieved 2024-11-22) (CAS RN: 6246-46-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    284-285 °C

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/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1

InChIKey

InChIKey=MUCRYNWJQNHDJH-OADIDDRXSA-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(=O)CC5)[H])[H])([C@@H](C)[C@H](C)CC2)[H]

Canonical SMILES

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

Other Names for this Substance

  • Urs-12-en-28-oic acid, 3-oxo-
  • 3-Oxours-12-en-28-oic acid
  • Ursonic acid
  • 3-Ketoursolic acid

Deleted or Replaced CAS Registry Numbers

142382-35-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration