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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009223

[(7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-17-[(2S,3R)-3-(pyridine-3-carbonyloxy)-4-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl] pyridine-3-carboxylate

Formula: C40H48N2O6  |  Mol. Weight: 652.80 g/mol

IUPAC: [(7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-17-[(2S,3R)-3-(pyridine-3-carbonyloxy)-4-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl] pyridine-3-carboxylate

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Overview

Molecular Formula C40H48N2O6
Molecular Weight 652.80 g/mol
Canonical SMILES CC(C1CCC2C1(CCC3C2C(CC4=CC(=O)C=CC34C)OC(=O)C5=CN=CC=C5)C)C(CC6(C(O6)(C)C)C)OC(=O)C7=CN=CC=C7

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy