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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028976

Calotropagenin

Formula: C23H32O6  |  Mol. Weight: 404.50 g/mol

IUPAC: (2R,3R,5S,8R,9S,10R,13R,14S,17R)-2,3,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

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Overview

Molecular Formula C23H32O6
Molecular Weight 404.50 g/mol
Canonical SMILES CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5C3(CC(C(C5)O)O)C=O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy