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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009539

(2R)-2-[(1S)-1-hydroxy-1-[(4S,5S,6R,8R,9S,10R,13S,14R,15S,17S)-4,5,6,14,17-pentahydroxy-15-methoxy-10,13-dimethyl-1-oxo-3,4,6,7,8,9,11,12,15,16-decahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one

Formula: C29H44O10  |  Mol. Weight: 552.70 g/mol

IUPAC: (2R)-2-[(1S)-1-hydroxy-1-[(4S,5S,6R,8R,9S,10R,13S,14R,15S,17S)-4,5,6,14,17-pentahydroxy-15-methoxy-10,13-dimethyl-1-oxo-3,4,6,7,8,9,11,12,15,16-decahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one

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Overview

Molecular Formula C29H44O10
Molecular Weight 552.70 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)(C2(CC(C3(C2(CCC4C3CC(C5(C4(C(=O)CCC5O)C)O)O)C)O)OC)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy