Catalog Number:
AG001UN4
Chemical Name:
Glycine, N-[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1)
CAS Number:
16409-34-0
Molecular Formula:
C26H42NNaO5
Molecular Weight:
471.6051
MDL Number:
MFCD00036742
IUPAC Name:
sodium;2-[[(4R)-4-[(3R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate
InChI:
InChI=1S/C26H43NO5.Na/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3;/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16?,17-,18?,19-,20?,21?,22+,25+,26-;/m1./s1
InChI Key:
VMSNAUAEKXEYGP-TWWARRCHSA-M
SMILES:
O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)[O-])C)C)C.[Na+]
EC Number:
240-455-4
