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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009885

[(1R,2R,3S,4R,5S,6R,8S,10S,11S,12S,13S,16S,17R,19S,20R)-17-acetyloxy-6-(2,5-dioxofuran-3-yl)-3,4,12-trihydroxy-1,5,11,16-tetramethyl-7-oxo-9,14-dioxahexacyclo[11.6.1.02,11.05,10.08,10.016,20]icosan-19-yl] (E)-2-methylbut-2-enoate

Formula: C33H40O13  |  Mol. Weight: 644.70 g/mol

IUPAC: [(1R,2R,3S,4R,5S,6R,8S,10S,11S,12S,13S,16S,17R,19S,20R)-17-acetyloxy-6-(2,5-dioxofuran-3-yl)-3,4,12-trihydroxy-1,5,11,16-tetramethyl-7-oxo-9,14-dioxahexacyclo[11.6.1.02,11.05,10.08,10.016,20]icosan-19-yl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C33H40O13
Molecular Weight 644.70 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC(C2(COC3C2C1(C4C(C(C5(C(C(=O)C6C5(C4(C3O)C)O6)C7=CC(=O)OC7=O)C)O)O)C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy