Acetoxolone

CAS Registry Number®

6277-14-1
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CAS Name

Acetoxolone

Molecular Formula

C32H48O5

Molecular Mass

512.72

Cite this Page

Acetoxolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6277-14-1 (retrieved 2024-04-19) (CAS RN: 6277-14-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    323 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1

InChIKey

InChIKey=FTQDJVZNPJRVPG-XWEVEMRCSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)CC[C@@](C(O)=O)(C)C4)[H])=CC(=O)[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](OC(C)=O)CC5)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C3C(=O)C=C4C5CC(C(=O)O)(C)CCC5(C)CCC4(C)C3(C)CCC2C1(C)C)C

Other Names for this Substance

  • Olean-12-en-29-oic acid, 3-(acetyloxy)-11-oxo-, (3β,20β)-
  • Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, acetate
  • (3β,20β)-3-(Acetyloxy)-11-oxoolean-12-en-29-oic acid
  • 3-O-Acetyl-18β-glycyrrhetic acid
  • Glycyrrhetinic acid acetate

View All

Deleted or Replaced CAS Registry Numbers

114332-99-9

CAS INSIGHTSTM
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