chempirical

Glycyrrhetinic acid

C30H46O4CAS 471-53-4470.69 g/mol

Open in Covalent MOL file
HOOOOH
AlcoholAlkeneCarboxylic acidKetone

Properties

Molecular formula
C30H46O4
Molar mass
470.69 g/mol
Exact mass
470.3396 Da
Melting point
296 °C
logP
6.41Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1
Stereocentres
S, S, R, R, S, S, S, R, Rin SMILES atom order

Identifiers

CAS number
471-53-4
SMILES
CC1(C)[C@@H](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
MPDGHEJMBKOTSU-YKLVYJNSSA-N
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+/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • (3β,20β)-3-Hydroxy-11-oxoolean-12-en-29-oic acid
  • Glycyrrhetic acid
  • 18β-Glycyrrhetic acid
  • 18β-Glycyrrhetinic acid
  • α-Glycyrrhetinic acid
  • Biosone
  • Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3β,20β)-
  • Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-
  • Uralenic acid
  • Enoxolone
  • Glycyrrhetin
  • Subglycyrrhelinic acid
  • GM 1658
  • STX 352
  • Arthrodont
  • PO 12
  • NSC 35347

Work with Glycyrrhetinic acid

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

Similar compounds

Carbenoxolone5697-56-371 % similar Stearyl glycyrrhetinate13832-70-769 % similar Glycyrrhizic acid1405-86-365 % similar Ammonium glycyrrhizinate1407-03-063 % similar Ammonium glycyrrhizinate53956-04-063 % similar Dipotassium glycyrrhizinate68797-35-361 % similar Disodium glycyrrhizinate71277-79-761 % similar Sodium glycyrrhizinate56649-78-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

18α-Glycyrrhetinic acid1449-05-4 11-Keto-β-boswellic acid17019-92-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook