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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029615

[4,12-Diacetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate

Formula: C35H38O13  |  Mol. Weight: 666.70 g/mol

IUPAC: [4,12-diacetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate

Overview

Molecular Formula C35H38O13
Molecular Weight 666.70 g/mol
Canonical SMILES CC(=O)OCC12C(C(CC(C13C(C(C(=O)C2OC(=O)C4=CC=CC=C4)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C)OC(=O)C5=CC=CC=C5

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy