3-O-Acetylursolic acid

CAS Registry Number®

7372-30-7

CAS Name

3-O-Acetylursolic acid

Molecular Formula

C32H50O4

Molecular Mass

498.74

Cite this Page

3-O-Acetylursolic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7372-30-7 (retrieved 2024-11-24) (CAS RN: 7372-30-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    279-280 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1

InChIKey

InChIKey=PHFUCJXOLZAQNH-OTMOLZNZSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CC[C@@H](C)[C@@H]4C)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](OC(C)=O)CC5)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C3CC=C4C5C(C)C(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C1(C)C)C

Other Names for this Substance

  • Urs-12-en-28-oic acid, 3-(acetyloxy)-, (3β)-
  • Urs-12-en-28-oic acid, 3β-hydroxy-, acetate
  • (3β)-3-(Acetyloxy)urs-12-en-28-oic acid
  • Ursolic acid acetate
  • Acetylursolic acid

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