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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025886

(3S,3aS,4R,9aR,9bS)-4-hydroxy-3,6-dimethyl-9-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

Formula: C21H28O10  |  Mol. Weight: 440.40 g/mol

IUPAC: (3S,3aS,4R,9aR,9bS)-4-hydroxy-3,6-dimethyl-9-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

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Overview

Molecular Formula C21H28O10
Molecular Weight 440.40 g/mol
Canonical SMILES CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)COC4C(C(C(C(O4)CO)O)O)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy