(3R,3'S,5'R)-3,3',8'-Trihydroxy-7,8-Didehydro-beta,kappa-Caroten-6'-One
[CAS# 50906-61-1]

Identification

• Name: (3R,3'S,5'R)-3,3',8'-Trihydroxy-7,8-Didehydro-beta,kappa-Caroten-6'-One
• Molecular Formula: C₄₀H₅₄O₄
• Molecular Weight: 598.85
• CAS Registry Number: 50906-61-1
• 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(=O)[C@@]2(C[C@H](CC2(C)C)O)C)/O)/C)/C
• InChI: 1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1
• InChIKey: WSLGBPCJDUQFND-BBPSKTQQSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 751.3±60.0°C at 760 mmHg (Cal.)
• Flash point: 422.1±29.4°C (Cal.)

References

• (1): Chisato Tode, Yumiko Yamano and Masayoshi Ito. Carotenoids and related polyenes. Part 8. Total synthesis of optically active mytiloxanthin applying the stereoselective rearrangement of tetrasubstituted epoxide, J. Chem. Soc., Perkin Trans. 1, 2002, 0, 1581.