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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020027

methyl 2-[(3R,6E)-6-[[(1S,6R,7R,7aS)-6,7-diacetyloxy-1-(furan-3-yl)-7a-methyl-1,2,6,7-tetrahydroinden-4-yl]methylidene]-2,2,4-trimethyl-7-oxo-3H-oxepin-3-yl]acetate

Formula: C31H36O9  |  Mol. Weight: 552.60 g/mol

IUPAC: methyl 2-[(3R,6E)-6-[[(1S,6R,7R,7aS)-6,7-diacetyloxy-1-(furan-3-yl)-7a-methyl-1,2,6,7-tetrahydroinden-4-yl]methylidene]-2,2,4-trimethyl-7-oxo-3H-oxepin-3-yl]acetate

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Overview

Molecular Formula C31H36O9
Molecular Weight 552.60 g/mol
Canonical SMILES CC1=CC(=CC2=CC(C(C3(C2=CCC3C4=COC=C4)C)OC(=O)C)OC(=O)C)C(=O)OC(C1CC(=O)OC)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy