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Chemical structure of 18β-Glycyrrhetyl-3-O-sulfate

GC71042

18β-Glycyrrhetyl-3-O-sulfate

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

18β-Glycyrrhetyl-3-O-sulfate (Glycyrrhetic acid 3-O-(hydrogen sulfate)) is a potent type 2 11β-hydroxysteroid dehydrogenase (11β-HSD2) inhibitor with an IC50 of 0·10 µM using rat kidney microsome

ChemicalCAS10251-38-4MW550.75FormulaC30H46O7S
CAS number
10251-38-4
Molecular weight
550.75
Formula
C30H46O7S
Solubility
DMSO ： 100 mg/mL (181·57 mM; Need ultrasonic)
InChIKey
IKLVARHEXXESBF-YKLVYJNSSA-N
Catalogue number
GC71042
Brand
GLPBIO
Computed properties PubChem CID 101756105 · XLogP 6 · TPSA 126 Ų · H-bond donors 2
XLogP
6
TPSA
126 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
38

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)OS(=O)(=O)O)C)(C)C(=O)O

Computed descriptors from PubChem (CID 101756105), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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