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Chemical structure of Gymnemagenin

GC43801

Gymnemagenin

Also known as (3R,4R,4aR,5S,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol

Gymnemagenin is the aglycone core of gymnemic acids A and B, triterpenoid sweetness inhibitors derived from G

ChemicalCAS22467-07-8MW506.7FormulaC30H50O6
CAS number
22467-07-8
Molecular weight
506.7
Formula
C30H50O6
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,Ethanol： 30 mg/ml,Ethanol：PBS (pH 7·2)(1：2)： 0·3 mg/ml
InChIKey
VKJLHZZPVLQJKG-ABHKXHSUSA-N
Catalogue number
GC43801
Brand
GLPBIO
Computed properties PubChem CID 10051937 · XLogP 4 · TPSA 121 Ų · H-bond donors 6
XLogP
4
TPSA
121 Ų
H-bond donors
6
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
36

SMILES C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC([C@H]([C@@H]5O)O)(C)C)CO)O)C)C)(C)CO)O

Computed descriptors from PubChem (CID 10051937), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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