(3E,5E,7E,9E,11E,13E,15E,17E)-1-[(1S,4S)-1,4-dihydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one

Base Information

• Chemical Name: (3E,5E,7E,9E,11E,13E,15E,17E)-1-[(1S,4S)-1,4-dihydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
• CAS No.: 94705-97-2
• Molecular Formula: C40H56O4
• Molecular Weight: 600.8702
• Nikkaji Number: J1.464.538A
• Wikidata: Q110184655
• Mol file: 94705-97-2.mol

Synonyms:prasinoxanthin

Chemical Property of (3E,5E,7E,9E,11E,13E,15E,17E)-1-[(1S,4S)-1,4-dihydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one

Chemical Property:

• Boiling Point: 746.3°Cat760mmHg
• Flash Point: 419.1°C
• PSA: 77.76000
• Density: 1.05g/cm³
• LogP: 8.77710
• XLogP3: 9.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 600.41786026
• Heavy Atom Count: 44
• Complexity: 1330

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC2(C(=C)CC(CC2(C)C)O)O)C)C)(C)C)O
• Isomeric SMILES: CC1=C[C@@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)C[C@]2(C(=C)C[C@H](CC2(C)C)O)O)/C)/C)(C)C)O