chempirical

Stearyl glycyrrhetinate

C48H82O4CAS 13832-70-7723.18 g/mol

Open in Covalent MOL file
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AlcoholAlkeneEsterKetone

Properties

Molecular formula
C48H82O4
Molar mass
723.18 g/mol
Exact mass
722.6213 Da
Melting point
116–118 °C
logP
13.13Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
18
Stereocentres
S, S, S, R, S, S, R, R, Rin SMILES atom order

Identifiers

CAS number
13832-70-7
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
InChIKey
WNIFXKPDILJURQ-JKPOUOEOSA-N
InChI
InChI=1S/C48H82O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33-52-42(51)45(5)30-29-44(4)31-32-47(7)36(37(44)35-45)34-38(49)41-46(6)27-26-40(50)43(2,3)39(46)25-28-48(41,47)8/h34,37,39-41,50H,9-33,35H2,1-8H3/t37-,39-,40-,41+,44+,45-,46-,47+,48+/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, octadecyl ester, (3β,20β)-
  • Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, octadecyl ester
  • α-Glycyrrhetinic acid stearyl ester
  • n-Octadecyl glycyrrhetinate
  • Octadecyl glycyrrhetinate
  • Stearyl glycyrrhetate
  • CO-Grhetinol
  • Sea og Retinol

Work with Stearyl glycyrrhetinate

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

18α-Glycyrrhetinic acid1449-05-469 % similar Glycyrrhetinic acid471-53-469 % similar Carbenoxolone5697-56-353 % similar Wilforlide A84104-71-252 % similar Glycyrrhizic acid1405-86-351 % similar β-Amyrin559-70-650 % similar Carbenoxolone sodium7421-40-150 % similar Ammonium glycyrrhizinate1407-03-050 % similar

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

Elsewhere

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