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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003193

[(1R,2S,7S,8R,9R,10R,11R,12R,17R,18S,19R,20R,22S)-9,10,22-triacetyloxy-12-(furan-3-yl)-8,17,19,20-tetrahydroxy-1,11-dimethyl-4,14-dioxo-5,13-dioxahexacyclo[17.2.1.02,7.07,20.08,17.011,16]docosan-18-yl] propanoate

Formula: C35H42O17  |  Mol. Weight: 734.70 g/mol

IUPAC: [(1R,2S,7S,8R,9R,10R,11R,12R,17R,18S,19R,20R,22S)-9,10,22-triacetyloxy-12-(furan-3-yl)-8,17,19,20-tetrahydroxy-1,11-dimethyl-4,14-dioxo-5,13-dioxahexacyclo[17.2.1.02,7.07,20.08,17.011,16]docosan-18-yl] propanoate

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Overview

Molecular Formula C35H42O17
Molecular Weight 734.70 g/mol
Canonical SMILES CCC(=O)OC1C2(C3CC(=O)OC(C3(C(C(C2(C45COC(=O)CC4C6(CC5(C1(C6OC(=O)C)O)O)C)O)OC(=O)C)OC(=O)C)C)C7=COC=C7)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy