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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025618

(2S,4aS,6aS,7R,9S,10R,10aR,10bS)-2-(furan-3-yl)-4a,9,10-trihydroxy-10b-methyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-4-one

Formula: C24H34O12  |  Mol. Weight: 514.50 g/mol

IUPAC: (2S,4aS,6aS,7R,9S,10R,10aR,10bS)-2-(furan-3-yl)-4a,9,10-trihydroxy-10b-methyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-4-one

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Overview

Molecular Formula C24H34O12
Molecular Weight 514.50 g/mol
Canonical SMILES CC12CC(OC(=O)C1(CCC3C2C(C(CC3OC4C(C(C(C(O4)CO)O)O)O)O)O)O)C5=COC=C5

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy