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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034800

[(1S,8R,9R,10R)-13-hydroxy-3,4-dimethoxy-8,9-dimethyl-2-oxo-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-16-oxatetracyclo[9.6.1.01,6.015,18]octadeca-3,5,11,13,15(18)-pentaen-10-yl] (Z)-2-methylbut-2-enoate

Formula: C32H40O13  |  Mol. Weight: 632.70 g/mol

IUPAC: [(1S,8R,9R,10R)-13-hydroxy-3,4-dimethoxy-8,9-dimethyl-2-oxo-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-16-oxatetracyclo[9.6.1.01,6.015,18]octadeca-3,5,11,13,15(18)-pentaen-10-yl] (Z)-2-methylbut-2-enoate

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Overview

Molecular Formula C32H40O13
Molecular Weight 632.70 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C(C(CC2=CC(=C(C(=O)C23COC4=C3C1=CC(=C4OC5C(C(C(C(O5)CO)O)O)O)O)OC)OC)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy