546-18-9

Name 5BETA-CHOLANIC ACID
CAS 546-18-9
Molecular Formula C24H40O2
MDL Number MFCD00065904
Molecular Weight 360.57
MOL File 546-18-9.mol
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Chemical Properties

Melting point  150 °C
Boiling point  473.6±13.0 °C(Predicted)
density  1.018±0.06 g/cm3(Predicted)
storage temp.  Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly, Heated, Sonicated)
form  Solid
pka 4.76±0.10(Predicted)
color  White to Off-White
InChI 1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)
InChIKey RPKLZQLYODPWTM-ZPEDRQGKNA-N
SMILES [C@]12(C)CC[C@]3([H])[C@@]4(C)CCCC[C@@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@@H]2[C@H](C)CCC(=O)O |&1:0,4,6,12,16,18,22,23,r|

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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