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Chemical structure of Withaphysalin E

GC76290

Withaphysalin E

Also known as (1R,2R,5S,6R,9S,12S,13R,19R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2,19-dihydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-15,17-diene-8,14-dione

Withaphysalin E is a natural product that can be isolated from Physalis divericata

ChemicalCAS118985-24-3MW482.57FormulaC28H34O7
CAS number
118985-24-3
Molecular weight
482.57
Formula
C28H34O7
Solubility
DMSO： 15 mg/mL (31·08 mM; Need ultrasonic and warming)
InChIKey
SLWBVOUPUSEZHZ-MXRDNREFSA-N
Catalogue number
GC76290
Brand
GLPBIO
Computed properties PubChem CID 13889675 · XLogP 1.9 · TPSA 110 Ų · H-bond donors 2
XLogP
1.9
TPSA
110 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
1
Heavy atoms
35

SMILES CC1=C(C(=O)O[C@H](C1)[C@]2([C@H]3CC[C@@]4([C@@]3(CC[C@H]5[C@H]4C[C@H](C6=CC=CC(=O)[C@]56C)O)C(=O)O2)O)C)C

Computed descriptors from PubChem (CID 13889675), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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