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Chemical structure of Withanolide A

GC41624

Withanolide A

Also known as (1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one

Withanolide A is a natural product isolated from the medicinal plant W

ChemicalCAS32911-62-9MW470.6FormulaC28H38O6
CAS number
32911-62-9
Molecular weight
470.6
Formula
C28H38O6
Solubility
Acetonitrile： 0·1 mg/ml,Methanol： ·5 mg/ml
InChIKey
DXWHOKCXBGLTMQ-SFQAJKIESA-N
Catalogue number
GC41624
Brand
GLPBIO
Computed properties PubChem CID 11294368 · XLogP 3.3 · TPSA 96.4 Ų · H-bond donors 2
XLogP
3.3
TPSA
96.4 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
34

SMILES CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)C)O)C

Computed descriptors from PubChem (CID 11294368), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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