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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012432

methyl (1S,4aR,6S,7R,7aS)-6-[(E)-3-(4-acetyloxyphenyl)prop-2-enoyl]oxy-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Formula: C36H42O19  |  Mol. Weight: 778.70 g/mol

IUPAC: methyl (1S,4aR,6S,7R,7aS)-6-[(E)-3-(4-acetyloxyphenyl)prop-2-enoyl]oxy-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

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Overview

Molecular Formula C36H42O19
Molecular Weight 778.70 g/mol
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2C3C(C(CC3(C(=CO2)C(=O)OC)O)OC(=O)C=CC4=CC=C(C=C4)OC(=O)C)(C)O)OC(=O)C)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy