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Chemical structure of Dihydrowithaferin A

GC63620

Dihydrowithaferin A

Also known as 6-hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one

Dihydrowithaferin A (2, 3-dihydrowithaferin A) is a withanolide isolated from Withania somnifera· Dihydrowithaferin A is active against acetylcholinesterase (AChE)

ChemicalCAS5589-41-3MW472.61FormulaC28H40O6
CAS number
5589-41-3
Molecular weight
472.61
Formula
C28H40O6
InChIKey
YRXCLNDPESBJHL-UHFFFAOYSA-N
Catalogue number
GC63620
Brand
GLPBIO
Computed properties PubChem CID 418033 · XLogP 3.8 · TPSA 96.4 Ų · H-bond donors 2
XLogP
3.8
TPSA
96.4 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
34

SMILES CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)CCC6O)C)O5)C)CO

Computed descriptors from PubChem (CID 418033), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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