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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004169

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

Formula: C21H28O8  |  Mol. Weight: 408.40 g/mol

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

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Overview

Molecular Formula C21H28O8
Molecular Weight 408.40 g/mol
Canonical SMILES C=C1CCC2C1C3C(CC(C2=C)OC4C(C(C(C(O4)CO)O)O)O)C(=C)C(=O)O3

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy