3'-Oxolutein
[CAS# 23984-55-6]

Identification

• Name: 3'-Oxolutein
• Synonyms: (4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(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]-3,5,5-Trimethyl-Cyclohex-2-En-1-One; (4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(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]-3,5,5-Trimethyl-1-Cyclohex-2-Enone; 3'-Oxolutein
• Molecular Formula: C₄₀H₅₄O₂
• Molecular Weight: 566.87
• CAS Registry Number: 23984-55-6
• SMILES: [C@H]1(C(CC(=O)C=C1C)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C2C(C[C@H](O)C=C2C)(C)C)C)C)C)C
• InChI: 1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35,37-38,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,37?,38+/m1/s1
• InChIKey: OTHWKRBAHPOBSP-QFXFUAHTSA-N

Properties

• Density: 0.999g/cm³ (Cal.)
• Boiling point: 694.532°C at 760 mmHg (Cal.)
• Flash point: 284.789°C (Cal.)