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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005221

[(8S,9S,10R,11R,12S,13S,14S,17S)-17-acetyl-12-acetyloxy-10,13-dimethyl-3-oxo-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] pyridine-3-carboxylate

Formula: C29H35NO6  |  Mol. Weight: 493.60 g/mol

IUPAC: [(8S,9S,10R,11R,12S,13S,14S,17S)-17-acetyl-12-acetyloxy-10,13-dimethyl-3-oxo-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] pyridine-3-carboxylate

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Overview

Molecular Formula C29H35NO6
Molecular Weight 493.60 g/mol
Canonical SMILES CC(=O)C1CCC2C1(C(C(C3C2CC=C4C3(CCC(=O)C4)C)OC(=O)C5=CN=CC=C5)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy