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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014894

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

Formula: C40H42O12  |  Mol. Weight: 714.80 g/mol

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

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Overview

Molecular Formula C40H42O12
Molecular Weight 714.80 g/mol
Canonical SMILES CC(=O)OC1C2C(C3(C(CC(C(C3(C1OC(=O)C4=CC=CC=C4)C)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)(C)O)OC2(C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy