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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038604

[(3S,4R,5R,8R,9S,10R,13S,14S,16S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-4-hydroxy-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate

Formula: C30H50N2O4  |  Mol. Weight: 502.70 g/mol

IUPAC: [(3S,4R,5R,8R,9S,10R,13S,14S,16S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-4-hydroxy-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate

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Overview

Molecular Formula C30H50N2O4
Molecular Weight 502.70 g/mol
Canonical SMILES CC(C1C(CC2C1(CCC3C2CCC4C3(CCC(C4O)NC(=O)C=C(C)C)C)C)OC(=O)C)N(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy