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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005783

[(5R,7R,8R,9S,10S,11R,13S,17S)-7-acetyloxy-17-[(3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-4,4,10,13-tetramethyl-3-oxo-6,7,8,9,11,12,16,17-octahydro-5H-cyclopenta[a]phenanthren-11-yl] (2R)-2-methylbutanoate

Formula: C36H54O9  |  Mol. Weight: 630.80 g/mol

IUPAC: [(5R,7R,8R,9S,10S,11R,13S,17S)-7-acetyloxy-17-[(3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-4,4,10,13-tetramethyl-3-oxo-6,7,8,9,11,12,16,17-octahydro-5H-cyclopenta[a]phenanthren-11-yl] (2R)-2-methylbutanoate

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Overview

Molecular Formula C36H54O9
Molecular Weight 630.80 g/mol
Canonical SMILES CCC(C)C(=O)OC1CC2(C(CC=C2C3C1C4(C=CC(=O)C(C4CC3OC(=O)C)(C)C)C)C5CC(OC5O)C(C(C)(C)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy