10538-59-7

Name 7-ketolithocholic Methyl ester
CAS 10538-59-7
Molecular Formula C25H40O4
MDL Number MFCD00271395
Molecular Weight 404.59
MOL File 10538-59-7.mol
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Chemical Properties

Melting point  107-109℃
Boiling point  505.7±25.0 °C(Predicted)
density  1.085±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
pka 15.02±0.70(Predicted)
InChIKey FNBYYFMYNRYPPC-CSEBQVRTNA-N
SMILES C[C@]12CC[C@]3([H])[C@]4(CC[C@@H](O)C[C@@]4([H])CC(=O)[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCC(=O)OC)C |&1:1,4,6,9,12,17,19,23,25,r|

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