3-Oxoglycyrrhetic acid

CAS Registry Number®

7020-50-0
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CAS Name

3-Oxoglycyrrhetic acid

Molecular Formula

C30H44O4

Molecular Mass

468.67

Cite this Page

3-Oxoglycyrrhetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7020-50-0 (retrieved 2024-07-06) (CAS RN: 7020-50-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    270 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H44O4/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/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,23+,26+,27-,28-,29+,30+/m0/s1

InChIKey

InChIKey=QGWDYPREORDRIT-LPXJIFNVSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)C(=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, 3,11-dioxo-, (20β)-
  • Olean-12-en-30-oic acid, 3,11-dioxo-
  • (20β)-3,11-Dioxoolean-12-en-29-oic acid
  • 3-Dehydro-18β-glycyrrhetic acid
  • 3-Oxo-18β-glycyrrhetic acid

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Deleted or Replaced CAS Registry Numbers

2442477-02-1