18α-Glycyrrhetinic acid

CAS Registry Number®

1449-05-4

CAS Name

18α-Glycyrrhetinic acid

Molecular Formula

C30H46O4

Molecular Mass

470.68

Cite this Page

18α-Glycyrrhetinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1449-05-4 (retrieved 2024-11-25) (CAS RN: 1449-05-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    296 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21+,22+,23-,26-,27+,28+,29-,30-/m1/s1

InChIKey

InChIKey=MPDGHEJMBKOTSU-PMTKVOBESA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O)CC3)[H])(C(=O)C=C4[C@@]2(C)CC[C@]5(C)[C@@]4(C[C@](C(O)=O)(C)CC5)[H])[H]

Canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C

Other Names for this Substance

  • Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3β,18α,20β)-
  • 18α-Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-
  • (3β,18α,20β)-3-Hydroxy-11-oxoolean-12-en-29-oic acid
  • 18α-Glycyrrhetic acid
  • 18α-Glycyrrhetinic acid

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