Copalyl pyrophosphate
[CAS# 21738-30-7]

Identification

• Name: Copalyl pyrophosphate
• Synonyms: [(E)-5-[(1R,4Ar,8Ar)-5,5,8A-Trimethyl-2-Methylene-Decalin-1-Yl]-3-Methyl-Pent-2-Enyl] Phosphono Hydrogen Phosphate; [(E)-5-[(1R,4Ar,8Ar)-5,5,8A-Trimethyl-2-Methylene-1-Decalinyl]-3-Methylpent-2-Enyl] Phosphono Hydrogen Phosphate; [(E)-5-[(1R,4Ar,8Ar)-5,5,8A-Trimethyl-2-Methylidene-3,4,4A,6,7,8-Hexahydro-1H-Naphthalen-1-Yl]-3-Methyl-Pent-2-Enyl] Phosphono Hydrogen Phosphate
• Molecular Formula: C₂₀H₃₆O₇P₂
• Molecular Weight: 450.45
• CAS Registry Number: 21738-30-7
• SMILES: [C@@H]12[C@]([C@@H](C(CC1)=C)CC\C(=C\CO[P](O[P](=O)(O)O)(=O)O)C)(CCCC2(C)C)C
• InChI: 1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18-,20+/m1/s1
• InChIKey: JCAIWDXKLCEQEO-PGHZQYBFSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 563.409°C at 760 mmHg (Cal.)
• Flash point: 294.539°C (Cal.)