BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004651

(1R,4S,7S,9S,10S,13R,15R)-7-[(2R,3R,4R,5R,6R)-4-carboxy-4-hydroxy-5-[(2S,3S)-3-hydroxy-3-(hydroxymethyl)-4,5-dioxooxolan-2-yl]oxy-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)oxan-2-yl]oxy-15-hydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid

Formula: C37H50O19  |  Mol. Weight: 798.80 g/mol

IUPAC: (1R,4S,7S,9S,10S,13R,15R)-7-[(2R,3R,4R,5R,6R)-4-carboxy-4-hydroxy-5-[(2S,3S)-3-hydroxy-3-(hydroxymethyl)-4,5-dioxooxolan-2-yl]oxy-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)oxan-2-yl]oxy-15-hydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid

3D View Find Similar

Overview

Molecular Formula C37H50O19
Molecular Weight 798.80 g/mol
Canonical SMILES CC(C)CC(=O)OC1C(OC(C(C1(C(=O)O)O)OC2C(C(=O)C(=O)O2)(CO)O)CO)OC3CC4(C5CCC6CC5(CCC4C(C3)(C(=O)O)C(=O)O)C(C6=C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy