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Chemical structure of Stearyl glycyrrhetinate

GC61297

Stearyl glycyrrhetinate

Also known as octadecyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate

Stearyl glycyrrhetinate, a major component in licorice extract, has a MIC against S

ChemicalCAS13832-70-7MW723.16FormulaC48H82O4
CAS number
13832-70-7
Molecular weight
723.16
Formula
C48H82O4
Solubility
Ethanol ： 25 mg/mL (34·57 mM; Need ultrasonic); DMSO ： < 1 mg/mL (insoluble or slightly soluble)
InChIKey
WNIFXKPDILJURQ-JKPOUOEOSA-N
Catalogue number
GC61297
Brand
GLPBIO
Computed properties PubChem CID 10700068 · XLogP 15.6 · TPSA 63.6 Ų · H-bond donors 1
XLogP
15.6
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
19
Heavy atoms
52

SMILES CCCCCCCCCCCCCCCCCCOC(=O)[C@]1(CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2C1)C)C)C

Computed descriptors from PubChem (CID 10700068), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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