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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006649

(2S,4aR,6aR,7R,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4a,5,6,7,10,10a-octahydrobenzo[f]isochromen-4-one

Formula: C25H34O9  |  Mol. Weight: 478.50 g/mol

IUPAC: (2S,4aR,6aR,7R,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4a,5,6,7,10,10a-octahydrobenzo[f]isochromen-4-one

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Overview

Molecular Formula C25H34O9
Molecular Weight 478.50 g/mol
Canonical SMILES CC12CCC3C(=O)OC(CC3(C1CC=CC2OC4C(C(C(C(O4)CO)O)O)O)C)C5=COC=C5

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy