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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031921

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

Formula: C38H46O12  |  Mol. Weight: 694.80 g/mol

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

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Overview

Molecular Formula C38H46O12
Molecular Weight 694.80 g/mol
Canonical SMILES CCC(C)C(=O)OC1C2C(C3(C(CCC(C3(C1OC(=O)C4=CC=CC=C4)COC(=O)C)OC(=O)C5=CC=CC=C5)(C)O)OC2(C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy