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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008386

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

Formula: C33H44O9  |  Mol. Weight: 584.70 g/mol

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

Overview

Molecular Formula C33H44O9
Molecular Weight 584.70 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C2C3C(CO2)(C(CC(C3(C4C1(C5=C(C(CC5OCC4)C6=CCOC6=O)C)C)C)O)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy