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Chemical structure of Glycyrrhizin-6'-methylester

GC71898

Glycyrrhizin-6'-methylester

Also known as (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-6-methoxycarbonyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Glycyrrhizin-6'-methylester is a natural product that can be isolated from licorice (Glycyrrhiza glabra)

ChemicalCAS1185255-36-0MW836.96FormulaC43H64O16
CAS number
1185255-36-0
Molecular weight
836.96
Formula
C43H64O16
InChIKey
AOBUVNAZHQBLHP-ILVQQCHOSA-N
Catalogue number
GC71898
Brand
GLPBIO
Computed properties PubChem CID 46226469 · XLogP 4.1 · TPSA 256 Ų · H-bond donors 7
XLogP
4.1
TPSA
256 Ų
H-bond donors
7
H-bond acceptors
16
Rotatable bonds
8
Heavy atoms
59

SMILES C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O

Computed descriptors from PubChem (CID 46226469), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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