Dinoxanthin

Base Information

• Chemical Name: Dinoxanthin
• CAS No.: 54369-12-9
• Molecular Formula: C42H58O5
• Molecular Weight: 642.9069
• UNII: 3QQ722WU3N
• DSSTox Substance ID: DTXSID101030372
• Nikkaji Number: J221.691D
• Wikipedia: Dinoxanthin
• Wikidata: Q105215540

Synonyms:Dinoxanthin;3QQ722WU3N;54369-12-9;UNII-3QQ722WU3N;DTXSID101030372;.BETA.,.BETA.-CAROTENE, 3-(ACETYLOXY)-6,7-DIDEHYDRO-5',6'-EPOXY-5,5',6,6'-TETRAHYDRO-3',5-DIHYDROXY-, (3S,3'S,5R,5'R,6S,6'S)-

Chemical Property of Dinoxanthin

Chemical Property:

• Boiling Point: 736°Cat760mmHg
• Flash Point: 213.8°C
• Density: 1.06g/cm³
• XLogP3: 9.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 642.42842495
• Heavy Atom Count: 47
• Complexity: 1500

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)O)OC(=O)C)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C
• Isomeric SMILES: C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C=C1[C@](C[C@H](CC1(C)C)OC(=O)C)(C)O)/C=C/C=C(\C)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C

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