(3S,3'S)-4',5'-Didehydro-4,5'-Retro-b,b-Carotene-3,3'-Diol
[CAS# 472-73-1]

Identification

• Name: (3S,3'S)-4',5'-Didehydro-4,5'-Retro-b,b-Carotene-3,3'-Diol
• Synonyms: (1S,4E)-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-18-[(4S)-4-Hydroxy-2,6,6-Trimethyl-1-Cyclohex-2-Enylidene]-3,7,12,16-Tetramethyl-Octadeca-2,4,6,8,10,12,14,16-Octaenylidene]-3,5,5-Trimethyl-Cyclohex-2-En-1-Ol; (1S,4E)-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-18-[(4S)-4-Hydroxy-2,6,6-Trimethyl-1-Cyclohex-2-Enylidene]-3,7,12,16-Tetramethyloctadeca-2,4,6,8,10,12,14,16-Octaenylidene]-3,5,5-Trimethyl-1-Cyclohex-2-Enol; Lmpr01070270
• Molecular Formula: C₄₀H₅₄O₂
• Molecular Weight: 566.87
• CAS Registry Number: 472-73-1
• SMILES: [C@H]1(C=C(/C(C(C1)(C)C)=C/C=C(/C=C/C=C(/C=C/C=C/C(=C/C=C/C(=C/C=C2/C(=C[C@@H](O)CC2(C)C)C)C)C)C)C)C)O
• 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/h11-26,35-36,41-42H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-/t35-,36-/m1/s1
• InChIKey: DHHWDJUUTBWANN-WUEUEEBUSA-N

Properties

• Density: 1.017g/cm³ (Cal.)
• Boiling point: 716.297°C at 760 mmHg (Cal.)
• Flash point: 276.683°C (Cal.)