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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007810

[(2S,3R,4S,5S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(1S,2S,5R,6R,10S,11R,14R,15R,18R,19S)-18-hydroxy-6,10,14,15,20,20-hexamethyl-22-oxo-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-10-yl]methoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] acetate

Formula: C43H68O14  |  Mol. Weight: 809.00 g/mol

IUPAC: [(2S,3R,4S,5S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(1S,2S,5R,6R,10S,11R,14R,15R,18R,19S)-18-hydroxy-6,10,14,15,20,20-hexamethyl-22-oxo-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-10-yl]methoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] acetate

Overview

Molecular Formula C43H68O14
Molecular Weight 809.00 g/mol
Canonical SMILES CC(=O)OC1C(C(OC1OC2C(C(C(OC2OCC3(CCCC4(C3CCC5(C4CCC6C5(CCC7(C68CCC7C(OC8=O)(C)C)O)C)C)C)C)CO)O)O)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy