CAS 951694-73-8 Obeticholic Acid Methyl Ester - Analytical Products / Alfa Chemistry

CAT	APS951694738
CAS	951694-73-8
Synonyms	(3α,5β,6α,7α)-6-ethyl-3,7-dihydroxy-cholan-24-oic acid methyl ester, Methyl 3α,7-dihydroxy-6-ethyl-5β-cholanate, Obeticholic Acid Methyl Ester
IUPAC Name	methyl (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-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]pentanoate
Molecular Weight	434.65
Molecular Formula	C27H46O4
Canonical SMILES	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@@H](O)C[C@@H]14
InChI	InChI=1S/C27H46O4/c1-6-18-22-15-17(28)11-13-27(22,4)21-12-14-26(3)19(16(2)7-10-23(29)31-5)8-9-20(26)24(21)25(18)30/h16-22,24-25,28,30H,6-15H2,1-5H3/t16-,17-,18-,19-,20+,21+,22+,24+,25-,26-,27-/m1/s1

Accurate Mass	434.3396
API Family	Matrix - API Family Obeticholic Acid
Format	Neat
Product Type	Impurity
Shipping	Room Temperature
Size	25MG
Storage Conditions	+5°C
Subcategory	Steroids and derivatives, Impurity standards, Mikromol