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Chemical structure of Gymnestrogenin

GF11070

Gymnestrogenin

Also known as (3S,4aS,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-3,5,10-triol

Gymnestrogenin is a pentahydroxytriterpene from the leaves of Gymnema sylvestre R·Br

ChemicalCAS19942-02-0MW490.71FormulaC30H50O5
CAS number
19942-02-0
Molecular weight
490.71
Formula
C30H50O5
InChIKey
SIBYGGBNBRCVQI-DGNDGBPUSA-N
Catalogue number
GF11070
Brand
GLPBIO
Computed properties PubChem CID 15560302 · XLogP 4.9 · TPSA 101 Ų · H-bond donors 5
XLogP
4.9
TPSA
101 Ų
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
35

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](C5)O)(C)C)CO)O)C)C)(C)CO)O

Computed descriptors from PubChem (CID 15560302), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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