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121521-90-2

Name lithospermic acid B
CAS 121521-90-2
Molecular Formula C36H30O16
MDL Number MFCD23115783
Molecular Weight 718.61
MOL File 121521-90-2.mol

Chemical Properties

Melting point  98-110°C
Boiling point  1020.3±65.0 °C(Predicted)
density  1.637±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  H2O: ≥5mg/mL
form  powder
pka 2.77±0.10(Predicted)
color  white to tan
optical activity [α]/D +95 to +115°, c = 1 in methanol
Water Solubility  H2O: ≥5mg/mL
InChIKey SNKFFCBZYFGCQN-VWUOOIFGSA-N
SMILES O1C2=C(O)C=CC(/C=C/C(O[C@@H](C(O)=O)CC3=CC=C(O)C(O)=C3)=O)=C2[C@H](C(O[C@@H](C(O)=O)CC2=CC=C(O)C(O)=C2)=O)[C@H]1C1=CC=C(O)C(O)=C1

Safety Data

Safety Statements 
WGK Germany  3
RTECS  DF6492107
HS Code  29329990

Hazard Information

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