Rubixanthin

Base Information

• Chemical Name: Rubixanthin
• CAS No.: 3763-55-1
• Molecular Formula: C40H56 O
• Molecular Weight: 552.884
• UNII: 0PWJ89032Q
• Metabolomics Workbench ID: 29002
• Nikkaji Number: J8.245G
• Wikidata: Q2063702
• Wikipedia: Rubixanthin
• Mol file: 3763-55-1.mol

Synonyms:Rubixanthin;3763-55-1;Natural yellow 27;(3R)-beta-4-Caroten-3-ol;UNII-0PWJ89032Q;(3R)-beta,psi-caroten-3-ol;CI 75135;0PWJ89032Q;beta-4-Caroten-3-ol, (3R)-;(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol;g-Caroten-3-ol;b,y-Caroten-3-ol;3-Hydroxy-g-carotene;.gamma.-Caroten-3-ol, (R)-all-trans-;RUBIXANTHIN [MI];(all-E,3R)-rubixanthin;(3R)-RUBIXANTHIN;ALL-TRANS-RUBIXANTHIN;SCHEMBL43266;E161d;CHEBI:8907;E 161d;3',4'-DIHYDROCELAXANTHIN;E-161D;LMPR01070281;C08611;.BETA.,.OMEGA.-CAROTEN-3-OL, (3R)-;Q2063702;3-CYCLOHEXEN-1-OL, 4-((1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-HEXAMETHYL-1,3,5,7,9,11,13,15,17,19,23-PENTACOSAUNDECAEN-1-YL)-3,5,5-TRIMETHYL-, (1R)-

Chemical Property of Rubixanthin

Chemical Property:

• Vapor Pressure: 9.09E-22mmHg at 25°C
• Melting Point: 160°
• Refractive Index: 1.4800 (estimate)
• Boiling Point: 685.7°Cat760mmHg
• PKA: 14.90±0.70(Predicted)
• Flash Point: 295.5°C
• PSA: 20.23000
• Density: 0.946g/cm³
• LogP: 11.74270
• XLogP3: 13.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 552.433116406
• Heavy Atom Count: 41
• Complexity: 1220

Purity/Quality:

99%, ^*data from raw suppliers

Rubixanthin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C
• Isomeric SMILES: CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C
• Uses: Rubixanthin is a carotenoid compound found in many plants such as spinach, rose hips, and in the petals of various flowers.