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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017464

[(2R,3S,4S,5R,6R)-6-[[(3aS,5aR,6R,9aS,9bS)-9-[[2-(4-hydroxyphenyl)acetyl]oxymethyl]-5a-methyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

Formula: C37H42O13  |  Mol. Weight: 694.70 g/mol

IUPAC: [(2R,3S,4S,5R,6R)-6-[[(3aS,5aR,6R,9aS,9bS)-9-[[2-(4-hydroxyphenyl)acetyl]oxymethyl]-5a-methyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

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Overview

Molecular Formula C37H42O13
Molecular Weight 694.70 g/mol
Canonical SMILES CC12CCC3C(C1C(=CCC2OC4C(C(C(C(O4)COC(=O)CC5=CC=C(C=C5)O)O)O)O)COC(=O)CC6=CC=C(C=C6)O)OC(=O)C3=C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy