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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020088

Ciparasin P

Formula: C39H54O16  |  Mol. Weight: 778.80 g/mol

IUPAC: [(1R,3S,3aS,4R,5R,6S)-6-[(2S,3R,4R,5S)-5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-1-hydroxy-7-(methoxymethyl)-3a-methyl-1,2,3,4,5,6-hexahydroinden-4-yl] 2-hydroxy-3-methylpentanoate

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Overview

Molecular Formula C39H54O16
Molecular Weight 778.80 g/mol
Canonical SMILES CCC(C)C(C(=O)OC1C(C(C(=C2C1(C(CC2O)C3=COC=C3)C)COC)C4(C(CC(=O)OC(C4CC(=O)OC)(C)COC(=O)C)OC(=O)C)C)OC=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy