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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018541

methyl (1S,4aS,5R,7S,7aS)-5,7-diacetyloxy-1-[(2S,3R,4S,5S,6R)-6-(formyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

Formula: C22H30O14  |  Mol. Weight: 518.50 g/mol

IUPAC: methyl (1S,4aS,5R,7S,7aS)-5,7-diacetyloxy-1-[(2S,3R,4S,5S,6R)-6-(formyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

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Overview

Molecular Formula C22H30O14
Molecular Weight 518.50 g/mol
Canonical SMILES CC(=O)OC1CC(C2C1C(=COC2OC3C(C(C(C(O3)COC=O)O)O)O)C(=O)OC)(C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy