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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009070

(3R,3aR,4R,9aS,9bR)-3-hydroxy-3,6,9-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione

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

IUPAC: (3R,3aR,4R,9aS,9bR)-3-hydroxy-3,6,9-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione

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Overview

Molecular Formula C21H28O10
Molecular Weight 440.40 g/mol
Canonical SMILES CC1=C2C(C3C(C(C1)OC4C(C(C(C(O4)CO)O)O)O)C(C(=O)O3)(C)O)C(=CC2=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy