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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039019

[(1R,2R,3R,4S,5S,6S,7R,8S,9S,10S,12R)-3,4,5,7,8,12-hexaacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methyl acetate

Formula: C31H42O18  |  Mol. Weight: 702.70 g/mol

IUPAC: [(1R,2R,3R,4S,5S,6S,7R,8S,9S,10S,12R)-3,4,5,7,8,12-hexaacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methyl acetate

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Overview

Molecular Formula C31H42O18
Molecular Weight 702.70 g/mol
Canonical SMILES CC(=O)OCC1(C2C(C(C3(C(C(C(C(C3(C2OC(=O)C)O1)(C)O)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy