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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004700

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

Formula: C31H36O9  |  Mol. Weight: 552.60 g/mol

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

Overview

Molecular Formula C31H36O9
Molecular Weight 552.60 g/mol
Canonical SMILES CC(=O)OC1C(C(C23CC(CC(C2(C1OC(=O)C4=CC=CC=C4)C)OC(=O)C5=CC=CC=C5)C(O3)(C)C)(C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy