(6S,3'S,5'R,6'R)-6,3',5'-Trihydroxy-4,5,6',7'-tetradehydro-7,8,5',6'-tetrahydro-beta,beta-carotene-3,8-dione

Base Information

• Chemical Name: (6S,3'S,5'R,6'R)-6,3',5'-Trihydroxy-4,5,6',7'-tetradehydro-7,8,5',6'-tetrahydro-beta,beta-carotene-3,8-dione
• CAS No.: 100667-78-5
• Molecular Formula: C40H54 O5
• Molecular Weight: 614.85
• Mol file: 100667-78-5.mol

Synonyms:(6S,3'S,5'R,6'R)-6,3',5'-trihydroxy-4,5,6',7'-tetradehydro-7,8,5',6'-tetrahydro-beta,beta-carotene-3,8-dione;amarouciaxanthin A

Chemical Property of (6S,3'S,5'R,6'R)-6,3',5'-Trihydroxy-4,5,6',7'-tetradehydro-7,8,5',6'-tetrahydro-beta,beta-carotene-3,8-dione

Chemical Property:

• Vapor Pressure: 2.24E-28mmHg at 25°C
• Boiling Point: 783.7°C at 760 mmHg
• Flash Point: 441.7°C
• PSA: 94.83000
• Density: 1.08g/cm³
• LogP: 8.08920
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 614.39712482
• Heavy Atom Count: 45
• Complexity: 1460

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)CC(C1(CC(=O)C(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=C=C2C(CC(CC2(C)O)O)(C)C)C)C)O)(C)C
• Isomeric SMILES: CC1=CC(=O)CC(C1(CC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C=C2C(CC(CC2(C)O)O)(C)C)/C)/C)O)(C)C