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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006509

[(1R,2R,3R,5R,6S,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

Formula: C23H28O11  |  Mol. Weight: 480.50 g/mol

IUPAC: [(1R,2R,3R,5R,6S,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

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Overview

Molecular Formula C23H28O11
Molecular Weight 480.50 g/mol
Canonical SMILES CC12C3(CC4C3(C(O1)CC4(O2)O)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy