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Chemical structure of Gypsogenin

GC26662

Gypsogenin

Also known as (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-formyl-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Gypsogenin (639-14-5) is a naturally occurring biochemical that shows anti-ABL1 kinase and anti-chronic Myelogenous Leukemia activities

ChemicalCAS639-14-5MW470.68FormulaC30H46O4
CAS number
639-14-5
Molecular weight
470.68
Formula
C30H46O4
Solubility
DMSO： 27·5 mg/ml (58·42 mM)
InChIKey
QMHCWDVPABYZMC-MYPRUECHSA-N
Catalogue number
GC26662
Brand
GLPBIO
Computed properties PubChem CID 92825 · XLogP 6.7 · TPSA 74.6 Ų · H-bond donors 2
XLogP
6.7
TPSA
74.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
34

SMILES C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C=O)O

Computed descriptors from PubChem (CID 92825), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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