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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029035

(3aS,5aS,8S,9bS)-5a,9-dimethyl-3-methylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

Formula: C21H30O8  |  Mol. Weight: 410.50 g/mol

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

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Overview

Molecular Formula C21H30O8
Molecular Weight 410.50 g/mol
Canonical SMILES CC1=C2C3C(CCC2(CCC1OC4C(C(C(C(O4)CO)O)O)O)C)C(=C)C(=O)O3

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy