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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002242

(3S,3aS,6S,6aR,9aR,9bS)-6-(hydroxymethyl)-3-methyl-9-methylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,6a,7,8,9a,9b-hexahydro-3H-azuleno[4,5-b]furan-2-one

Formula: C21H30O9  |  Mol. Weight: 426.50 g/mol

IUPAC: (3S,3aS,6S,6aR,9aR,9bS)-6-(hydroxymethyl)-3-methyl-9-methylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,6a,7,8,9a,9b-hexahydro-3H-azuleno[4,5-b]furan-2-one

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Overview

Molecular Formula C21H30O9
Molecular Weight 426.50 g/mol
Canonical SMILES CC1C2C=CC(C3CCC(=C)C3C2OC1=O)(CO)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy