CAS 434-13-9 Lithocholic acid - Analytical Products / Alfa Chemistry

CAT	APS434139
CAS	434-13-9
Structure
MDL Number	MFCD00003682
Synonyms	3α-Hydroxy-5β-cholan-24-oate, 3α-Hydroxy-5β-cholanic acid, 17β-(1-Methyl-3-carboxypropyl)etiocholan-3α-ol, 3α-Hydroxy-5β-cholanoic acid, Lithocholic acid, 3α-Hydroxycholanic acid,(3α,5β)-3-Hydroxycholan-24-oic acid, NSC 683770, 3-Hydroxycholan-24-oic acid, 3α-Hydroxy-5β-cholan-24-oic acid
IUPAC Name	(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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	376.57
Molecular Formula	C24H40O3
EC Number	207-099-1
Canonical SMILES	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI	InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChI Key	SMEROWZSTRWXGI-HVATVPOCSA-N
REAXYS Number	3217757

Description	≥95%
Accurate Mass	376.2977
API Family	Matrix - API Family See respective official monograph(s)
Assay	≥95%
Format	Neat
MP	183-188 °C (lit.)
Size	10G, 25G
Type	API