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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009671

methyl (1S,4aS,5S,7aS)-5-butoxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Formula: C21H32O11  |  Mol. Weight: 460.50 g/mol

IUPAC: methyl (1S,4aS,5S,7aS)-5-butoxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

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Overview

Molecular Formula C21H32O11
Molecular Weight 460.50 g/mol
Canonical SMILES CCCCOC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy