(1S,4S,6R)-1-[18-[(1S,4S,6R)-4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-1-Yl]-3,7,12,16-Tetramethyloctadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-4-Ol
[CAS# 126-29-4]

Identification

• Name: (1S,4S,6R)-1-[18-[(1S,4S,6R)-4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-1-Yl]-3,7,12,16-Tetramethyloctadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-4-Ol
• Synonyms: (1S,4S,6R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-1-Yl]-3,7,12,16-Tetramethyloctadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-4-Ol; (1S,4S,6R)-1-[18-[(1S,4S,6R)-4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-1-Yl]-3,7,12,16-Tetramethyl-Octadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-4-Ol; (1S,4S,6R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-1-Yl]-3,7,12,16-Tetramethyl-Octadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-4-Ol
• Molecular Formula: C₄₀H₅₆O₄
• Molecular Weight: 600.88
• CAS Registry Number: 126-29-4
• SMILES: [C@]12([C@](C[C@H](CC1(C)C)O)(C)O2)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@]34[C@](C[C@H](CC3(C)C)O)(C)O4)C)C)C)C
• InChI: 1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1
• InChIKey: SZCBXWMUOPQSOX-WVJDLNGLSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 705.8±60.0°C at 760 mmHg (Cal.)
• Flash point: 380.7±32.9°C (Cal.)

References

• (1): Ismayil S. Zulfugarov, Altanzaya Tovuu, Bolormaa Dogsom, Chung Yeol Lee and Choon-Hwan Lee. PsbS-specific zeaxanthin-independent changes in fluorescence emission spectrum as a signature of energy-dependent non-photochemical quenching in higher plants, Photochem. Photobiol. Sci., 2010, 9, 697.