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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP027673

Withaphysalin E

Formula: C28H34O7  |  Mol. Weight: 482.60 g/mol

IUPAC: (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

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Overview

Molecular Formula C28H34O7
Molecular Weight 482.60 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C2(C3CCC4(C3(CCC5C4CC(C6=CC=CC(=O)C56C)O)C(=O)O2)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy