(2S)-1,1',6,6',7,7'-Hexahydroxy-3,3'-Dimethyl-5,5'-Bis(1-Methylethyl)-[2,2'-Binaphthalene]-8,8'-Dicarboxaldehyde
[CAS# 20300-26-9]

Identification

• Name: (2S)-1,1',6,6',7,7'-Hexahydroxy-3,3'-Dimethyl-5,5'-Bis(1-Methylethyl)-[2,2'-Binaphthalene]-8,8'-Dicarboxaldehyde
• Synonyms: 7-(8-Formyl-1,6,7-Trihydroxy-5-Isopropyl-3-Methyl-2-Naphthyl)-2,3,8-Trihydroxy-4-Isopropyl-6-Methyl-Naphthalene-1-Carbaldehyde; 7-(8-Formyl-1,6,7-Trihydroxy-5-Isopropyl-3-Methyl-2-Naphthyl)-2,3,8-Trihydroxy-4-Isopropyl-6-Methyl-1-Naphthalenecarboxaldehyde; 2,3,8-Trihydroxy-6-Methyl-4-Propan-2-Yl-7-(1,6,7-Trihydroxy-8-Methanoyl-3-Methyl-5-Propan-2-Yl-Naphthalen-2-Yl)Naphthalene-1-Carbaldehyde
• Molecular Formula: C₃₀H₃₀O₈
• Molecular Weight: 518.56
• CAS Registry Number: 20300-26-9
• SMILES: C1=C(C)C(=C(C2=C1C(=C(O)C(=C2C=O)O)C(C)C)O)C4=C(C3=C(C(=C(O)C(=C3C=O)O)C(C)C)C=C4C)O
• InChI: 1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
• InChIKey: QBKSWRVVCFFDOT-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 707.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 395.9±28.0°C (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 100 mM in ethanol

References

• (1): Piotr Przybylski, Krystian Pyta, Justyna Czupryniak, Barbara Wicher, Maria Gdaniec, Tadeusz Ossowski and Bogumił Brzezinski. The influence of protonation on molecular structure and physico-chemical properties of gossypol Schiff bases, Org. Biomol. Chem., 2010, 8, 5511.