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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015752

N-demethylpuqietinone

Formula: C27H45NO2  |  Mol. Weight: 415.70 g/mol

IUPAC: (3S,5S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

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Overview

Molecular Formula C27H45NO2
Molecular Weight 415.70 g/mol
Canonical SMILES CC1CCC(NC1)C(C)C2CCC3C2(CCC4C3CC(=O)C5C4(CCC(C5)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy