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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000444

[2-methyl-1-[(4Z)-5-oxo-4-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylidene]oxolan-2-yl]prop-2-enyl] (E)-3-(4-acetyloxyphenyl)prop-2-enoate

Formula: C35H40O16  |  Mol. Weight: 716.70 g/mol

IUPAC: [2-methyl-1-[(4Z)-5-oxo-4-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylidene]oxolan-2-yl]prop-2-enyl] (E)-3-(4-acetyloxyphenyl)prop-2-enoate

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Overview

Molecular Formula C35H40O16
Molecular Weight 716.70 g/mol
Canonical SMILES CC(=C)C(C1CC(=CCOC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)O1)OC(=O)C=CC3=CC=C(C=C3)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy