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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018824

Halocynthiaxanthin

Formula: C40H54O4  |  Mol. Weight: 598.90 g/mol

IUPAC: (3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-1-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one

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Overview

Molecular Formula C40H54O4
Molecular Weight 598.90 g/mol
Canonical SMILES CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC23C(CC(CC2(O3)C)O)(C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy