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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019708

Withacoagulin

Formula: C28H36O5  |  Mol. Weight: 452.60 g/mol

IUPAC: (2R)-2-[(1R)-1-[(8R,9S,10R,13R,17S)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one

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Overview

Molecular Formula C28H36O5
Molecular Weight 452.60 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)(C2CC=C3C2(CCC4C3CC=C5C4(C(=O)C=CC5)C)C)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy