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Chemical structure of Withanolide B

GC45158

Withanolide B

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

Withanolide B is a withanolide that has been found in W

ChemicalCAS56973-41-2MW454.6FormulaC28H38O5
CAS number
56973-41-2
Molecular weight
454.6
Formula
C28H38O5
Solubility
Acetonitrile： 0·1 mg/ml,Methanol： 0·5 mg/ml
InChIKey
ZTEVDTFJUUJBLP-MBMSZCMESA-N
Catalogue number
GC45158
Brand
GLPBIO
Computed properties PubChem CID 14236711 · XLogP 4.7 · TPSA 76.1 Ų · H-bond donors 1
XLogP
4.7
TPSA
76.1 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
33

SMILES CC1=C(C(=O)O[C@H](C1)[C@@H](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)C

Computed descriptors from PubChem (CID 14236711), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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