CAS 474-25-9 Chenodeoxycholic acid - Analytical Products / Alfa Chemistry

CAT	APS474259
CAS	474-25-9
Structure
MDL Number	MFCD00064142
Synonyms	Chenodeoxycholic acid, 3α,7α-dihydroxy-5β-cholan-24-oic acid
IUPAC Name	(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]pentanoic acid
Molecular Weight	392.57
Molecular Formula	C24H40O4
EC Number	200-659-6
Canonical SMILES	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI	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
InChI Key	RUDATBOHQWOJDD-BSWAIDMHSA-N
REAXYS Number	3219887

Description	500 μg/mL in methanol, certified reference material
Accurate Mass	392.2927
API Family	Matrix - API Family See respective official monograph(s)
Format	Neat
Grade	certified reference material
MP	165-167 °C (lit.)
Size	1ML
Storage Conditions	−20°C
Type	API