Methyl ursolate

CAS Registry Number®

32208-45-0
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CAS Name

Methyl ursolate

Molecular Formula

C31H50O3

Molecular Mass

470.73

Cite this Page

Methyl ursolate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=32208-45-0 (retrieved 2024-07-08) (CAS RN: 32208-45-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    170.5-171.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1

InChIKey

InChIKey=YCBSMEKEDOHEQI-QHQGJMPNSA-N

SMILES

C(OC)(=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(OC)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-, methyl ester, (3β)-
  • Urs-12-en-28-oic acid, 3β-hydroxy-, methyl ester
  • Methyl ursolate
  • Ursolic acid methyl ester
  • Methyl (3β)-3-Hydroxyurs-12-en-28-oate

Deleted or Replaced CAS Registry Numbers

989-71-9, 51704-33-7