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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010692

Purpurediolin

Formula: C37H66O8  |  Mol. Weight: 638.90 g/mol

IUPAC: (2S)-4-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5R,6S)-1,5,6-trihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

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Overview

Molecular Formula C37H66O8
Molecular Weight 638.90 g/mol
Canonical SMILES CCCCCC(C(CCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCCCC3=CC(OC3=O)C)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy