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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011150

N-Tigloylbuxahyrcanine

Formula: C31H52N2O2  |  Mol. Weight: 484.80 g/mol

IUPAC: (E)-N-[(3S,6S,8S,11R,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-3-hydroxy-7,7,12,16-tetramethyl-6-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl]-2-methylbut-2-enamide

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Overview

Molecular Formula C31H52N2O2
Molecular Weight 484.80 g/mol
Canonical SMILES CC=C(C)C(=O)NC1CCC2(CC3=CCC4(C(CCC4(C3CCC2C1(C)C)C)C(C)N(C)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy