Stearyl glycyrrhetinate

C48H82O4CAS 13832-70-7723.18 g/mol

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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

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
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

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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

18Alpha-glycyrrhetinic acid1449-05-469 % similar Glycyrrhetinic acid471-53-469 % similar Carbenoxolone5697-56-353 % similar Wilforlide A84104-71-252 % similar Glycyrrhizic acid1405-86-351 % similar Beta-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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