Glycyrrhetinyl stearate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 2
PubChem 71586807
Molecular Formula

C48H80O5

SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C

InChI

InChI=1S/C48H80O5/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-40(50)53-39-26-27-46(6)38(43(39,2)3)25-28-48(8)41(46)37(49)33-35-36-34-45(5,42(51)52)30-29-44(36,4)31-32-47(35,48)7/h33,36,38-39,41H,9-32,34H2,1-8H3,(H,51,52)/t36-,38-,39-,41+,44+,45-,46-,47+,48+/m0/s1

synonyms
  • Glycyrrhetinyl stearate
  • 4827-59-2
  • 3-Stearoyloxy glycyrrhetinic acid
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Properties
Property Value
MW 737.1 g/mol
HBD 1
HBA 5
Rotatable Bond Count 19
Exact Mass 736.60057565 g/mol
Monoisotopic Mass 736.60057565 g/mol
Heavy Atom Count 53
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 1330
xlogp 15.4
Topological Polar Surface Area 80.7