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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025655

(1R,6R,11R,12R,15R,16R)-15-[(2R)-6-hydroxy-6-methyl-5-oxoheptan-2-yl]-7,7,16-trimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadec-3(8)-ene-12-carboxylic acid

Formula: C36H58O10  |  Mol. Weight: 650.80 g/mol

IUPAC: (1R,6R,11R,12R,15R,16R)-15-[(2R)-6-hydroxy-6-methyl-5-oxoheptan-2-yl]-7,7,16-trimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadec-3(8)-ene-12-carboxylic acid

Overview

Molecular Formula C36H58O10
Molecular Weight 650.80 g/mol
Canonical SMILES CC(CCC(=O)C(C)(C)O)C1CCC2(C1(CCC3C2CCC4=C(C3)CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy