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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012805

2,3-dihydro-3beta-methoxy withaferin A

Formula: C29H42O7  |  Mol. Weight: 502.60 g/mol

IUPAC: (1S,2R,5S,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one

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Overview

Molecular Formula C29H42O7
Molecular Weight 502.60 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)CC(C6O)OC)C)O5)C)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy