(+)-Ursolic acid

CAS Registry Number®

77-52-1
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CAS Name

(+)-Ursolic acid

Molecular Formula

C30H48O3

Molecular Mass

456.70

Cite this Page

(+)-Ursolic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=77-52-1 (retrieved 2024-06-21) (CAS RN: 77-52-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    284 °C
  • Density (2)

    1.09 g/cm³ (Solid)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O3/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/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1

InChIKey

InChIKey=WCGUUGGRBIKTOS-GPOJBZKASA-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@@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-hydroxy-, (3β)-
  • Urs-12-en-28-oic acid, 3β-hydroxy-
  • (3β)-3-Hydroxyurs-12-en-28-oic acid
  • Malol
  • Prunol

Deleted or Replaced CAS Registry Numbers

209545-05-1, 1621860-31-8, 2088841-40-9, 2814556-59-5

CAS INSIGHTSTM
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