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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025883

[(1R,2S,4R,5S,6R,7R,8S,9S,12S)-7,12-diacetyloxy-6-(acetyloxymethyl)-5,8-dibenzoyloxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate

Formula: C42H44O13  |  Mol. Weight: 756.80 g/mol

IUPAC: [(1R,2S,4R,5S,6R,7R,8S,9S,12S)-7,12-diacetyloxy-6-(acetyloxymethyl)-5,8-dibenzoyloxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate

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Overview

Molecular Formula C42H44O13
Molecular Weight 756.80 g/mol
Canonical SMILES CC1CC(C(C2(C13C(C(C(C2OC(=O)C)OC(=O)C4=CC=CC=C4)C(O3)(C)C)OC(=O)C)COC(=O)C)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy