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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002421

(3R,3aS,5S,6R,9aS,9bR)-6-hydroxy-3,6,9-trimethyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,5a,7,9a,9b-octahydrobenzo[g][1]benzofuran-2-one

Formula: C21H32O9  |  Mol. Weight: 428.50 g/mol

IUPAC: (3R,3aS,5S,6R,9aS,9bR)-6-hydroxy-3,6,9-trimethyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,5a,7,9a,9b-octahydrobenzo[g][1]benzofuran-2-one

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Overview

Molecular Formula C21H32O9
Molecular Weight 428.50 g/mol
Canonical SMILES CC1C2CC(C3C(C2OC1=O)C(=CCC3(C)O)C)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy