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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012939

(1S,4aS,7S,7aS)-7-(benzoyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

Formula: C23H28O11  |  Mol. Weight: 480.50 g/mol

IUPAC: (1S,4aS,7S,7aS)-7-(benzoyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

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Overview

Molecular Formula C23H28O11
Molecular Weight 480.50 g/mol
Canonical SMILES C1CC2C(C1COC(=O)C3=CC=CC=C3)C(OC=C2C(=O)O)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy