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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018384

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

Formula: C35H40O12  |  Mol. Weight: 652.70 g/mol

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

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Overview

Molecular Formula C35H40O12
Molecular Weight 652.70 g/mol
Canonical SMILES CC1CC(C(C2(C13C(C(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(O3)(C)C)OC(=O)C)COC(=O)C)OC(=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy