
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 517-37-3 |
| Catalog No. | 2A-1198153 |
| Chinese Name | 牛磺去氢胆酸 |
| Synonyms | taurodehydrocholic acid |
| Molecular Formula | C26H39NO7S |
| Molecular Weight | 531.64 |
| Purity | >99 (TLC) |
| Appearance | powder |
| SMILES | [H][C@@]12[C@]([C@](CCC(C3)=O)(C)[C@]3([H])CC2=O)([H])CC([C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(NCCS(=O)([O-])=O)=O)=O.[Na+] |
| InChI | InChI=1S/C26H39NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-16,18-20,24H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,18-,19?,20?,24?,25+,26-;/m1./s1 |
| InChI Key | RKSAYDXINPFQGF-HAYMIVNUSA-M |
| NACRES Code | NA.25 |
| UNSPSC | 12352211 |
| MSDS | msds/200037_1_517_37_3.pdf |
| Transport Info | Product name: Taurodehydrocholic acid |
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