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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002913

[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methoxy-5-(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

Formula: C27H39NO9  |  Mol. Weight: 521.60 g/mol

IUPAC: [(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methoxy-5-(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

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Overview

Molecular Formula C27H39NO9
Molecular Weight 521.60 g/mol
Canonical SMILES CC(=CCC1=C(C(=CC(=C1)C(=O)OCC2CCN3C2CCC3)OC)OC4C(C(C(C(O4)CO)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy