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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017129

bruguierins C

Formula: C48H86O6  |  Mol. Weight: 759.20 g/mol

IUPAC: [(1R,3S,5S,8R,9S,10R,13R,14R,17S)-17-[(E,2S)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-1-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate

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Overview

Molecular Formula C48H86O6
Molecular Weight 759.20 g/mol
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OC1CC(C2(C3CCC4C(CCC4(C3(CCC2C1(C)C)C)C)C(C)(CC=CC(C)(C)OO)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy