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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035304

[(1S,2S,5S,6S,7R,8S,9R,12R)-5,12-diacetyloxy-7-(furan-3-carbonyloxy)-2-hydroxy-6-(hydroxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate

Formula: C29H34O13  |  Mol. Weight: 590.60 g/mol

IUPAC: [(1S,2S,5S,6S,7R,8S,9R,12R)-5,12-diacetyloxy-7-(furan-3-carbonyloxy)-2-hydroxy-6-(hydroxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate

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Overview

Molecular Formula C29H34O13
Molecular Weight 590.60 g/mol
Canonical SMILES CC(=O)OC1CCC(C23C1(C(C(C(C2OC(=O)C)C(O3)(C)C)OC(=O)C4=COC=C4)OC(=O)C5=COC=C5)CO)(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy