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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019820

17alpha-hydroxywithaferin A

Formula: C28H38O7  |  Mol. Weight: 486.60 g/mol

IUPAC: (1S,2R,6S,7R,9R,11S,12S,15S,16S)-6,15-dihydroxy-15-[(1R)-1-[(2R)-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]octadec-4-en-3-one

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Overview

Molecular Formula C28H38O7
Molecular Weight 486.60 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)C2(CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy