BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008507

[(1S,3R,4R,5R,7S,8S,9R,11S,12S,13R,16S)-5,11-diacetyloxy-16-hydroxy-13-(2-hydroxy-5-oxo-2H-furan-4-yl)-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-4-yl] 2-methylbutanoate

Formula: C36H48O15  |  Mol. Weight: 720.80 g/mol

IUPAC: [(1S,3R,4R,5R,7S,8S,9R,11S,12S,13R,16S)-5,11-diacetyloxy-16-hydroxy-13-(2-hydroxy-5-oxo-2H-furan-4-yl)-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-4-yl] 2-methylbutanoate

3D View Find Similar

Overview

Molecular Formula C36H48O15
Molecular Weight 720.80 g/mol
Canonical SMILES CCC(C)C(=O)OC1C2C(C3CC(C4(C(OC(=O)C(C4(C3=C)O2)O)C5=CC(OC5=O)O)C)OC(=O)C)(C(C(C1OC(=O)C)(C)C)CC(=O)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy