2393-59-1

Name β-Muricholic Acid
CAS 2393-59-1
Molecular Formula C24H40O5
MDL Number MFCD00271403
Molecular Weight 408.58
MOL File 2393-59-1.mol

Chemical Properties

Melting point  226 °C
Boiling point  565.7±40.0 °C(Predicted)
density  1.184±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO (Slightly), Ethanol (Slightly,Sonicated), Methanol (Slightly), Water (Sligh
form  powder
pka 4.76±0.10(Predicted)
color  white to beige
Optical Rotation [α]/D +59 to +65°, c = 0.1 in methanol
InChIKey DKPMWHFRUGMUKF-UINRVLNBNA-N
SMILES C[C@]12CC[C@@H](O)C[C@@]1([H])[C@H](O)[C@H](O)[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]3(C)CC[C@]21[H] |&1:1,4,7,9,11,13,15,19,21,28,32,r|

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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