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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035539

3,5a-Dimethyl-2-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-9-carbaldehyde

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

IUPAC: 3,5a-dimethyl-2-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-9-carbaldehyde

Overview

Molecular Formula C21H32O9
Molecular Weight 428.50 g/mol
Canonical SMILES CC1C2CCC3(C(CCC(C3C2OC1=O)C=O)OC4C(C(C(C(O4)CO)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy