Carbenoxolone

C34H50O7CAS 5697-56-3570.77 g/mol

Open in Covalent MOL file
OOOOHOOOH
AlkeneCarboxylic acidEsterKetone

Properties

Molecular formula
C34H50O7
Molar mass
570.77 g/mol
Exact mass
570.3557 Da
Melting point
292.5 °C
logP
6.83Crippen estimate
Polar surface area
118.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5
Stereocentres
S, S, R, R, S, S, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
5697-56-3
SMILES
CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChIKey
OBZHEBDUNPOCJG-WBXJDKIVSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 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
  • 3β-Hydroxy-11-oxoolean-12-en-30-oic acid hydrogen succinate
  • 3-O-(β-Carboxypropionyl)-11-oxo-18β-olean-12-en-30-oic acid
  • Glycyrrhetinic acid hydrogen succinate
  • Glycyrrhetinic acid succinate

Work with Carbenoxolone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Carbenoxolone sodium7421-40-1Salt

Similar compounds

18Alpha-glycyrrhetinic acid1449-05-471 % similar Glycyrrhetinic acid471-53-471 % similar Glycyrrhizic acid1405-86-364 % similar Ammonium glycyrrhizinate1407-03-062 % similar Ammonium glycyrrhizinate53956-04-062 % similar Diammonium glycyrrhizinate79165-06-362 % similar Dipotassium glycyrrhizinate68797-35-360 % similar Disodium glycyrrhizinate71277-79-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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