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69351-31-1

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69351-31-1 Structure

69351-31-1 Structure
IdentificationBack Directory
[Name]

Glycoallolithocholic Acid
[CAS]

69351-31-1
[Synonyms]

Glycoallolithocholic Acid
Glycine, N-[(3α,5α)-3-hydroxy-24-oxocholan-24-yl]- (9CI)
[Molecular Formula]

C26H43NO4
[MOL File]

69351-31-1.mol
[Molecular Weight]

433.62
Chemical PropertiesBack Directory
[Boiling point ]

619.7±30.0 °C(Predicted)
[density ]

1.112±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C (-15°C to -25°C)
[form ]

powder
[pka]

3.58±0.10(Predicted)
[InChIKey]

XBSQTYHEGZTYJE-UGLOQJELSA-N
[SMILES]

[H][C@@]12[C@]([C@](CC[C@@H](O)C3)(C)[C@@]3([H])CC2)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(NCC(O)=O)=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
69351-31-1 suppliers list
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