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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006663

[(1S,2S,3R,5S,7S,8S,9R,10R,13S)-2,7,9,10,13-pentaacetyloxy-1-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (2R,3S)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

Formula: C41H55NO14  |  Mol. Weight: 785.90 g/mol

IUPAC: [(1S,2S,3R,5S,7S,8S,9R,10R,13S)-2,7,9,10,13-pentaacetyloxy-1-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (2R,3S)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

Overview

Molecular Formula C41H55NO14
Molecular Weight 785.90 g/mol
Canonical SMILES CC1=C2C(C(C3(C(CC(C(=C)C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C)OC(=O)C(C(C4=CC=CC=C4)N(C)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy