617024
Chenodeoxycholic-2,2,3,4,4-d5 acid
98 atom % D
About This Item
Product Name
Chenodeoxycholic-2,2,3,4,4-d5 acid, 98 atom % D
InChI
1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1/i8D2,12D2,16D
SMILES string
[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C[C@@H]2C([2H])([2H])[C@]1([2H])O)[C@H](C)CCC(O)=O
InChI key
RUDATBOHQWOJDD-FVAYXOGXSA-N
isotopic purity
98 atom % D
form
solid
technique(s)
mass spectrometry (MS): suitable
mp
165-167 °C (lit.)
mass shift
M+5
Related Categories
Packaging
signalword
Warning
hcodes
pcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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