(E)-4-[(1R,3R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3R)-3-[(E)-4-Hydroxy-3-Methyl-But-2-Enyl]-2,2-Dimethyl-6-Methylene-Cyclohexyl]-3,7,12,16-Tetramethyl-Octadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-2,2-Dimethyl-4-Methylene-Cyclohexyl]-2-Methyl-But-2-En-1-Ol
[CAS# 11031-47-3]

Identification

• Name: (E)-4-[(1R,3R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3R)-3-[(E)-4-Hydroxy-3-Methyl-But-2-Enyl]-2,2-Dimethyl-6-Methylene-Cyclohexyl]-3,7,12,16-Tetramethyl-Octadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-2,2-Dimethyl-4-Methylene-Cyclohexyl]-2-Methyl-But-2-En-1-Ol
• Synonyms: sarcinaxanthin
• Molecular Formula: C₅₀H₇₂O₂
• Molecular Weight: 705.11
• CAS Registry Number: 11031-47-3
• SMILES: C[C@]1(C)[C@@H](C(\CC[C@@H]1C\C=C(/C)CO)=C)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@H]2C(\CC[C@H](C\C=C(/C)CO)[C@@]2(C)C)=C
• InChI: 1S/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-32-46(50(48,11)12)30-24-42(6)36-52/h13-26,33-34,45-48,51-52H,7-8,27-32,35-36H2,1-6,9-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,37-17+,38-18+,39-21+,40-22+,41-23+,42-24+/t45-,46-,47+,48+/m0/s1
• InChIKey: XFXHBQLETDDGGF-XUYZKQIISA-N

Properties

• Density: 0.984g/cm³ (Cal.)
• Boiling point: 782.618°C at 760 mmHg (Cal.)
• Flash point: 274.77°C (Cal.)
• Refractive index: 1.553 (Cal.)