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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022464

[(1R,3R,5R,6aS,7S,8S,9R,10R,10aS)-10-hydroxy-9-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,3-dimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] butanoate

Formula: C35H46O9  |  Mol. Weight: 610.70 g/mol

IUPAC: [(1R,3R,5R,6aS,7S,8S,9R,10R,10aS)-10-hydroxy-9-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,3-dimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] butanoate

Overview

Molecular Formula C35H46O9
Molecular Weight 610.70 g/mol
Canonical SMILES CCCC(=O)OC1CC2C(C(C(C(C23C(OC(C3=C1)OC)OC)O)OC(=O)C=CC4=CC=C(C=C4)O)C)(C)CCC(=C)C=C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy