70868-78-9

Name 23-Hydroxytormentic acid
CAS 70868-78-9
Molecular Formula C30H48O6
MDL Number MFCD09971000
Molecular Weight 504.71
MOL File 70868-78-9.mol

Chemical Properties

Melting point  282-284 °C
Boiling point  639.3±55.0 °C(Predicted)
density  1.23±0.1 g/cm3(Predicted)
storage temp.  -20°C
form  Solid
pka 4.46±0.70(Predicted)
color  White to off-white
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChIKey YCOKATFNRPZIIU-NIZSJLHKSA-N
SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P330-P501
Hazard Codes  Xn
Risk Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Supplier