(3R,3'S)-beta,beta-Carotene-3,3'-Diol
[CAS# 31272-50-1]

Identification

• Name: (3R,3'S)-beta,beta-Carotene-3,3'-Diol
• Molecular Formula: C₄₀H₅₆O₂
• Molecular Weight: 568.87
• CAS Registry Number: 31272-50-1
• SMILES: O[C@@H]2C/C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(\C)C[C@H](O)CC1(C)C)C)C)C)C)C(C)(C)C2)C
• InChI: 1S/C40H56O2/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/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+
• InChIKey: JKQXZKUSFCKOGQ-YOPUJPICSA-N

Properties

• Density: 1.008g/cm³ (Cal.)
• Boiling point: 711.449°C at 760 mmHg (Cal.)
• Flash point: 273.388°C (Cal.)