Isocopalendial
[CAS# 84807-61-4]

Identification

• Name: Isocopalendial
• Synonyms: (1S,4Ar,4Bs,8As,10Ar)-4B,8,8,10A-Tetramethyl-4,4A,5,6,7,8A,9,10-Octahydro-1H-Phenanthrene-1,2-Dicarboxaldehyde; Ccris 1711; Isocopalendial
• Molecular Formula: C₂₀H₃₀O₂
• Molecular Weight: 302.46
• CAS Registry Number: 84807-61-4
• SMILES: [C@H]2(C(=CC[C@@H]3[C@]1(CCCC([C@@H]1CC[C@@]23C)(C)C)C)C=O)C=O
• InChI: 1S/C20H30O2/c1-18(2)9-5-10-20(4)16(18)8-11-19(3)15(13-22)14(12-21)6-7-17(19)20/h6,12-13,15-17H,5,7-11H2,1-4H3/t15-,16+,17+,19+,20+/m1/s1
• InChIKey: NPOWRDFGFIYMIY-ORZNMBHWSA-N

Properties

• Density: 1.07g/cm³ (Cal.)
• Boiling point: 398.411°C at 760 mmHg (Cal.)
• Flash point: 149.259°C (Cal.)

References

• (1): R. Puliti and C. A. Mattia. ent-Isocopal-12-ene-15,16-dialdehyde from Spongia officinalis, Acta Cryst. (1999). C55, 2160-2163