3',4'-Didehydro-1',2'-Dihydro-1'-Hydroxy-beta,psi-Caroten-4-One
[CAS# 26056-69-9]

Identification

• Name: 3',4'-Didehydro-1',2'-Dihydro-1'-Hydroxy-beta,psi-Caroten-4-One
• Synonyms: 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-24-Hydroxy-3,7,12,16,20,24-Hexamethyl-Pentacosa-1,3,5,7,9,11,13,15,17,19,21-Undecaenyl]-2,4,4-Trimethyl-Cyclohex-2-En-1-One; 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-24-Hydroxy-3,7,12,16,20,24-Hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-Undecaenyl]-2,4,4-Trimethyl-1-Cyclohex-2-Enone; 4-Keto-1',2'-Dihydro-1'-Hydroxytorulene
• Molecular Formula: C₄₀H₅₄O₂
• Molecular Weight: 566.87
• CAS Registry Number: 26056-69-9
• SMILES: C(C(O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C(CCC1(C)C)=O)C)C)C)C)C)C
• InChI: 1S/C40H54O2/c1-31(19-13-21-33(3)22-14-23-34(4)25-16-29-40(9,10)42)17-11-12-18-32(2)20-15-24-35(5)26-27-37-36(6)38(41)28-30-39(37,7)8/h11-27,42H,28-30H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,27-26+,31-17+,32-18+,33-21+,34-23+,35-24+
• InChIKey: GCDPDLHIDNBTJP-BOBWQXBNSA-N

Properties

• Density: 0.975g/cm³ (Cal.)
• Boiling point: 723.352°C at 760 mmHg (Cal.)
• Flash point: 294.941°C (Cal.)