beta,beta-Carotene-3,3',4,4'-Tetrone
[CAS# 514-76-1]

Identification

• Name: beta,beta-Carotene-3,3',4,4'-Tetrone
• Synonyms: astacene
• Molecular Formula: C₄₀H₄₈O₄
• Molecular Weight: 592.81
• CAS Registry Number: 514-76-1
• SMILES: CC1=C(C(CC(=O)C1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)C(=O)CC2(C)C)C)\C)\C)/C)/C
• InChI: 1S/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
• InChIKey: RASZIXQTZOARSV-QISQUURKSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 735.9±60.0°C at 760 mmHg (Cal.)
• Flash point: 298.3±28.1°C (Cal.)

References

• (1): Luiza Helena Gremski, Rafael Bertoni da Silveira, Olga Meiri Chaim, Christian Macagnan Probst, Valéria Pereira Ferrer, Jenifer Nowatzki, Hellen Chris Weinschutz, Humberto Maciel Madeira, Waldemiro Gremski, Helena Bonciani Nader, Andrea Senff-Ribeiro and Silvio Sanches Veiga. A novel expression profile of the Loxosceles intermedia spider venomous gland revealed by transcriptome analysis, Mol. Biosyst., 2010, 6, 2403.