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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020185

[(1S,2R,3R,4S,5R,6S)-2,3,6-trihydroxy-4,5-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (E)-3-methylpent-2-enoate

Formula: C22H32O9  |  Mol. Weight: 440.50 g/mol

IUPAC: [(1S,2R,3R,4S,5R,6S)-2,3,6-trihydroxy-4,5-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (E)-3-methylpent-2-enoate

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Overview

Molecular Formula C22H32O9
Molecular Weight 440.50 g/mol
Canonical SMILES CCC(=CC(=O)OC1C(C(C(C(C1O)OC(=O)C(=CC)C)OC(=O)C(=CC)C)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy