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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP027089

[(1S,2S,3R,5S,6R,8S)-6-hydroxy-8-methyl-3-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate

Formula: C23H28O12  |  Mol. Weight: 496.50 g/mol

IUPAC: [(1S,2S,3R,5S,6R,8S)-6-hydroxy-8-methyl-3-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate

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Overview

Molecular Formula C23H28O12
Molecular Weight 496.50 g/mol
Canonical SMILES CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy