Oleanolic acid acetate

CAS Registry Number®

4339-72-4
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CAS Name

Oleanolic acid acetate

Molecular Formula

C32H50O4

Molecular Mass

498.74

Cite this Page

Oleanolic acid acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4339-72-4 (retrieved 2024-04-28) (CAS RN: 4339-72-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    264-265 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1

InChIKey

InChIKey=RIXNFYQZWDGQAE-DFHVBEEKSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CCC(C)(C)C4)[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=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C1(C)C)C

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-(acetyloxy)-, (3β)-
  • Olean-12-en-28-oic acid, 3β-hydroxy-, acetate
  • Oleanolic acid, acetyl-
  • (3β)-3-(Acetyloxy)olean-12-en-28-oic acid
  • Acetyloleanolic acid

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Deleted or Replaced CAS Registry Numbers

118122-15-9, 137867-41-5, 87038-54-8

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