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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018378

[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-4,8,12-triacetyloxy-2,6,10,10-tetramethyl-7-(2-methylbutanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate

Formula: C33H44O11  |  Mol. Weight: 616.70 g/mol

IUPAC: [(1S,2R,4S,5R,6S,7S,8R,9R,12R)-4,8,12-triacetyloxy-2,6,10,10-tetramethyl-7-(2-methylbutanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate

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Overview

Molecular Formula C33H44O11
Molecular Weight 616.70 g/mol
Canonical SMILES CCC(C)C(=O)OC1C(C2C(C3(C1(C(C(CC3C)OC(=O)C)OC(=O)C4=CC=CC=C4)C)OC2(C)C)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy