(3S,3'S,5R,8S,9cis)-5,8-Dihydro-5,8-Epoxy-beta,beta-Carotene-3,3'-Diol
[CAS# 27780-11-6]

Identification

• Name: (3S,3'S,5R,8S,9cis)-5,8-Dihydro-5,8-Epoxy-beta,beta-Carotene-3,3'-Diol
• Molecular Formula: C₄₀H₅₆O₃
• Molecular Weight: 584.87
• CAS Registry Number: 27780-11-6
• 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@@H]2C=C3[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C
• InChI: 1S/C40H56O3/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)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-22,24,33-34,36,41-42H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t33-,34-,36-,40+/m0/s1
• InChIKey: IFYMEZNJCAQUME-ZIRXUSJCSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 716.1±60.0°C at 760 mmHg (Cal.)
• Flash point: 386.9±32.9°C (Cal.)
• Refractive index: 1.569 (Cal.)