Carbenoxolone

CAS Registry Number®

5697-56-3
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CAS Name

Carbenoxolone

Molecular Formula

C34H50O7

Molecular Mass

570.76

Cite this Page

Carbenoxolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5697-56-3 (retrieved 2024-02-21) (CAS RN: 5697-56-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    292.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1

InChIKey

InChIKey=OBZHEBDUNPOCJG-WBXJDKIVSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](OC(CCC(O)=O)=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)CCC(=O)OC1CCC2(C)C3C(=O)C=C4C5CC(C(=O)O)(C)CCC5(C)CCC4(C)C3(C)CCC2C1(C)C

Other Names for this Substance

  • Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, (3β,20β)-
  • Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, hydrogen succinate
  • Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, succinate
  • (3β,20β)-3-(3-Carboxy-1-oxopropoxy)-11-oxoolean-12-en-29-oic acid
  • Biogastrone

Deleted or Replaced CAS Registry Numbers

13020-80-9, 60093-85-8, 108064-10-4, 885512-34-5, 906421-35-0, 2268037-89-2

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