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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016282

1-O-Deacetyl-1-O-benzoylohchinolide B

Formula: C40H46O10  |  Mol. Weight: 686.80 g/mol

IUPAC: [(1R,2R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-1,9,11,16-tetramethyl-12-[(E)-2-methylbut-2-enoyl]oxy-4-oxo-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] benzoate

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Overview

Molecular Formula C40H46O10
Molecular Weight 686.80 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C2C3C(CO2)(C(CC(C3(C4C1(C5=C(C(CC5OC(=O)C4)C6=COC=C6)C)C)C)OC(=O)C7=CC=CC=C7)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy