11-Deoxyglycyrrhetinic acid

CAS Registry Number®

564-16-9
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CAS Name

11-Deoxyglycyrrhetinic acid

Molecular Formula

C30H48O3

Molecular Mass

456.70

Cite this Page

11-Deoxyglycyrrhetinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=564-16-9 (retrieved 2024-07-02) (CAS RN: 564-16-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    105-107 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27-,28-,29+,30+/m0/s1

InChIKey

InChIKey=JZFSMVXQUWRSIW-BTJIZOSBSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O)CC3)[H])(CC=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(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C

Other Names for this Substance

  • Olean-12-en-29-oic acid, 3-hydroxy-, (3β,20β)-
  • Olean-12-en-30-oic acid, 3β-hydroxy-
  • (3β,20β)-3-Hydroxyolean-12-en-29-oic acid
  • 11-Deoxo-18β-glycyrrhetic acid
  • 11-Deoxoglycyrrhetinic acid

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Deleted or Replaced CAS Registry Numbers

1197886-56-8