CAS 517-37-3 MFCD00271410-Taurodehydrocholate -LabNovo

SMILES: C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C

Mol. Formula	C26H39NO7S
Mol. Weight	509.66

Chemical Name	Taurodehydrocholate
InChIKey	UBDJSBRKNHQFPD-PYGYYAGESA-N
PubChem Substance ID	121933
InChI	InChI=1S/C26H39NO7S/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)/t15-,16+,18-,19+,20+,24+,25+,26-/m1/s1

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