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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005521

methyl (1S,4aR,6S,7R,7aR)-4a,7-dihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxy-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

Formula: C33H38O17  |  Mol. Weight: 706.60 g/mol

IUPAC: methyl (1S,4aR,6S,7R,7aR)-4a,7-dihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxy-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

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Overview

Molecular Formula C33H38O17
Molecular Weight 706.60 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=CC=C4)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