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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029553

Withacoagin

Formula: C28H38O5  |  Mol. Weight: 454.60 g/mol

IUPAC: (2R)-2-[(1R)-1-hydroxy-1-[(5S,8S,9S,10R,13S,14S,17S)-5-hydroxy-10,13-dimethyl-1-oxo-8,9,11,12,14,15,16,17-octahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one

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Overview

Molecular Formula C28H38O5
Molecular Weight 454.60 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3C=CC5(C4(C(=O)C=CC5)C)O)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy