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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009568

(3S,3aS,9aS,9bS)-9-[[(2R,3R,4S,5S,6R)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

Formula: C27H38O14  |  Mol. Weight: 586.60 g/mol

IUPAC: (3S,3aS,9aS,9bS)-9-[[(2R,3R,4S,5S,6R)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

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Overview

Molecular Formula C27H38O14
Molecular Weight 586.60 g/mol
Canonical SMILES CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)COC4C(C(C(C(O4)COC5(C(C(C(O5)CO)O)O)CO)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy