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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031454

[(1S,5R,6R)-3-(hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (2S,3R)-3-chloro-2-hydroxy-2-methylbutanoate

Formula: C20H29ClO7  |  Mol. Weight: 416.90 g/mol

IUPAC: [(1S,5R,6R)-3-(hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (2S,3R)-3-chloro-2-hydroxy-2-methylbutanoate

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Overview

Molecular Formula C20H29ClO7
Molecular Weight 416.90 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C=C(C(=O)C(C1C(C)C)OC(=O)C(C)(C(C)Cl)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy