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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019202

[(1R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-bis(3-methylbut-2-enyl)benzoate

Formula: C36H53NO12  |  Mol. Weight: 691.80 g/mol

IUPAC: [(1R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-bis(3-methylbut-2-enyl)benzoate

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Overview

Molecular Formula C36H53NO12
Molecular Weight 691.80 g/mol
Canonical SMILES CC(=CCC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(O3)CO)O)O)CC=C(C)C)C(=O)OCC4CCN5C4CCC5)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy