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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007885

[(3S,5S,9R,10R,11R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-11-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate

Formula: C36H52O4  |  Mol. Weight: 548.80 g/mol

IUPAC: [(3S,5S,9R,10R,11R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-11-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate

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Overview

Molecular Formula C36H52O4
Molecular Weight 548.80 g/mol
Canonical SMILES CCC(CCC(C)C1CCC2C1(CC(C3C2=CC(=O)C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)O)C)C(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy