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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015759

12-Deoxy-withastramonolide

Formula: C28H38O6  |  Mol. Weight: 470.60 g/mol

IUPAC: (2S,4S,5R,10R,14R)-5-hydroxy-15-[(1S)-1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one

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Overview

Molecular Formula C28H38O6
Molecular Weight 470.60 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy