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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004701

[(1S,2S,3S,4S,5R,6R,7S,9R,12R)-3,4,12-triacetyloxy-5-benzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

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

IUPAC: [(1S,2S,3S,4S,5R,6R,7S,9R,12R)-3,4,12-triacetyloxy-5-benzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

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Overview

Molecular Formula C35H40O12
Molecular Weight 652.70 g/mol
Canonical SMILES CC(=O)OC1C(C2(C(CC3C(C2(C(C1OC(=O)C)(C)O)OC3(C)C)OC(=O)C)OC(=O)C4=CC=CC=C4)C)OC(=O)C5=CC=CC=C5

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy