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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008338

[(12R,13S,14R)-1-hydroxy-3-methoxy-12-(4-methoxyphenyl)-14-[2-(3-methylbutanoylamino)pyrrolidine-1-carbonyl]-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl] acetate

Formula: C38H42N2O10  |  Mol. Weight: 686.70 g/mol

IUPAC: [(12R,13S,14R)-1-hydroxy-3-methoxy-12-(4-methoxyphenyl)-14-[2-(3-methylbutanoylamino)pyrrolidine-1-carbonyl]-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl] acetate

Overview

Molecular Formula C38H42N2O10
Molecular Weight 686.70 g/mol
Canonical SMILES CC(C)CC(=O)NC1CCCN1C(=O)C2C(C3(C(C2(C4=C(C5=C(C=C4O3)OCO5)OC)O)OC(=O)C)C6=CC=C(C=C6)OC)C7=CC=CC=C7

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy