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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006303

(3S,3aS,5aR,6R,9R,9aS,9bS)-3,5a-dimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,8,9,9a,9b-decahydro-2H-benzo[g][1]benzofuran-9-carbaldehyde

Formula: C21H34O8  |  Mol. Weight: 414.50 g/mol

IUPAC: (3S,3aS,5aR,6R,9R,9aS,9bS)-3,5a-dimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,8,9,9a,9b-decahydro-2H-benzo[g][1]benzofuran-9-carbaldehyde

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Overview

Molecular Formula C21H34O8
Molecular Weight 414.50 g/mol
Canonical SMILES CC1COC2C1CCC3(C2C(CCC3OC4C(C(C(C(O4)CO)O)O)O)C=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy