97%(HPLC) , 17791-36-5

CAS NO.：17791-36-5

Empirical Formula: C21H26O6

Molecular Weight: 374.43

MDL number: MFCD04973356

PRODUCT Properties

• Melting point: 76-81°C
• Boiling point: 537.1±50.0 °C(Predicted)
• Density: 1.24±0.1 g/cm3(Predicted)
• storage temp.: -20°C
• form: solid
• pka: 12.93±0.70(Predicted)
• optical activity: [α]22/D +14.0°, c = 1% in chloroform
• InChI: 1S/C21H26O6/c1-24-21-20(26-14-16-10-6-3-7-11-16)19(18(23)17(12-22)27-21)25-13-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3/t17-,18-,19+,20-,21+/m1/s1
• InChIKey: AOHYQGVMTDLXSL-ADAARDCZSA-N
• SMILES: OC[C@H]1O[C@H](OC)[C@H](OCC2=CC=CC=C2)[C@@H](OCC3=CC=CC=C3)[C@@H]1O

Safety

• WGK Germany: 3
• HS Code: 2938909090
• Storage Class: 11 - Combustible Solids