alpha-Doradexanthin
[CAS# 29125-77-7]

Identification

• Name: alpha-Doradexanthin
• Synonyms: (6S)-6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S)-4-Hydroxy-2,6,6-Trimethyl-1-Cyclohex-2-Enyl]-3,7,12,16-Tetramethyl-Octadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-2,4,4-Trimethyl-Cyclohex-2-En-1-One; (6S)-6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S)-4-Hydroxy-2,6,6-Trimethyl-1-Cyclohex-2-Enyl]-3,7,12,16-Tetramethyloctadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-2,4,4-Trimethyl-1-Cyclohex-2-Enone; Beta,Epsilon-Caroten-4-One, 3,3'-Dihydroxy-, (3S,3'S,6'R)-
• Molecular Formula: C₄₀H₅₄O₃
• Molecular Weight: 582.86
• CAS Registry Number: 29125-77-7
• SMILES: [C@@H]1(C(=C[C@@H](O)CC1(C)C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C2=C(C([C@@H](O)CC2(C)C)=O)C)C)C)C)C
• InChI: 1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37,41-42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35+,37+/m1/s1
• InChIKey: JKMGDISLOMKFOX-CHRGBVLDSA-N

Properties

• Density: 1.036g/cm³ (Cal.)
• Boiling point: 732.735°C at 760 mmHg (Cal.)
• Flash point: 410.883°C (Cal.)

References

• (1): Buchecker Richard, Eugster Conrad Hans, Weber Adolf. Absolute Konfiguration von ?-Doradexanthin und von Fritschiellaxanthin, einem neuen Carotinoid aus Fritschiella tuberosa IYENG, Helvetica Chimica Acta, 1978