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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006626

methyl (2S,4aS,6S,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,8,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate

Formula: C26H34O12  |  Mol. Weight: 538.50 g/mol

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

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Overview

Molecular Formula C26H34O12
Molecular Weight 538.50 g/mol
Canonical SMILES CC12CC(OC(=O)C1(CC(C3=C(CCCC23)C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)O)C5=COC=C5

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy