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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036431

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

Formula: C34H42O16  |  Mol. Weight: 706.70 g/mol

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

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Overview

Molecular Formula C34H42O16
Molecular Weight 706.70 g/mol
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2CCC3C(=C2C(=O)OC)CCC4(C3(CC(OC4=O)C5=COC=C5)C)O)OC(=O)C)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy