Methyl (3β,18α,20β)-3-hydroxy-11-oxoolean-12-en-29-oate

CAS Registry Number®

5092-01-3

CAS Name

Methyl (3β,18α,20β)-3-hydroxy-11-oxoolean-12-en-29-oate

Molecular Formula

C31H48O4

Molecular Mass

484.71

Cite this Page

Methyl (3β,18α,20β)-3-hydroxy-11-oxoolean-12-en-29-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5092-01-3 (retrieved 2024-12-22) (CAS RN: 5092-01-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    267-268 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3/t20-,22+,23+,24-,27-,28+,29+,30-,31-/m1/s1

InChIKey

InChIKey=RMIVRCBSQPCSCQ-BSMXFTQLSA-N

SMILES

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

Canonical SMILES

O=C1C=C2C3CC(C(=O)OC)(C)CCC3(C)CCC2(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C14

Other Names for this Substance

  • Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, methyl ester, (3β,18α,20β)-
  • 18α-Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, methyl ester
  • Methyl (3β,18α,20β)-3-hydroxy-11-oxoolean-12-en-29-oate
  • Methyl β-glycyrrhetinate
  • Methyl 18α-glycyrrhetate

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