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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022053

[(1R,4S,5R,6S,7R,8S,9S)-5-chloro-4-hydroxy-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,10-dioxatricyclo[5.3.1.04,8]undecan-6-yl] 4-hydroxy-3-methoxybenzoate

Formula: C23H29ClO13  |  Mol. Weight: 548.90 g/mol

IUPAC: [(1R,4S,5R,6S,7R,8S,9S)-5-chloro-4-hydroxy-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,10-dioxatricyclo[5.3.1.04,8]undecan-6-yl] 4-hydroxy-3-methoxybenzoate

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Overview

Molecular Formula C23H29ClO13
Molecular Weight 548.90 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C(=O)OC2C3CC4OCC(C3C(O4)OC5C(C(C(C(O5)CO)O)O)O)(C2Cl)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy