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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030193

methyl 7-[6-(acetyloxymethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-4-(furan-3-yl)-4a,8-dimethyl-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromene-8-carboxylate

Formula: C29H36O9  |  Mol. Weight: 528.60 g/mol

IUPAC: methyl 7-[6-(acetyloxymethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-4-(furan-3-yl)-4a,8-dimethyl-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromene-8-carboxylate

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Overview

Molecular Formula C29H36O9
Molecular Weight 528.60 g/mol
Canonical SMILES CC(=O)OCC1C(C(=O)C=CC1(C)C2CCC3(C(OC(=O)C4C3(C2(C)C(=O)OC)O4)C5=COC=C5)C)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy