(3R,3'S,5'R,6'S)-5',6'-Dihydro-5',6'-Epoxy-beta,beta-Carotene-3,3'-Diol
[CAS# 25494-44-4]

Identification

• Name: (3R,3'S,5'R,6'S)-5',6'-Dihydro-5',6'-Epoxy-beta,beta-Carotene-3,3'-Diol
• Synonyms: 5,6-epoxy-5,6-dihydro-β,β-carotene-3,3'-diol; β,β-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro- (VAN); C08579
• Molecular Formula: C₄₀H₅₆O₃
• Molecular Weight: 584.87
• CAS Registry Number: 25494-44-4
• 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@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C
• InChI: 1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1
• InChIKey: OFNSUWBAQRCHAV-OYQUVCAXSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 708.6±60.0°C at 760 mmHg (Cal.)
• Flash point: 382.4±32.9°C (Cal.)
• Refractive index: 1.598 (Cal.)

References

• (1): Andreas Dreuw, Graham R. Fleming and Martin Head-Gordon. Chlorophyll fluorescence quenching by xanthophylls, Phys. Chem. Chem. Phys., 2003, 5, 3247.