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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009709

[(3aS,5aR,6R,9aS,9bS)-5a-methyl-3-methylidene-2-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-9-yl]methyl 2-(4-hydroxyphenyl)acetate

Formula: C29H36O11  |  Mol. Weight: 560.60 g/mol

IUPAC: [(3aS,5aR,6R,9aS,9bS)-5a-methyl-3-methylidene-2-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-9-yl]methyl 2-(4-hydroxyphenyl)acetate

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Overview

Molecular Formula C29H36O11
Molecular Weight 560.60 g/mol
Canonical SMILES CC12CCC3C(C1C(=CCC2OC4C(C(C(C(O4)CO)O)O)O)COC(=O)CC5=CC=C(C=C5)O)OC(=O)C3=C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy