Analyte Name

6-Vinyl Chenodeoxycholic Acid

CAS Number

1908444-27-8

Molecular Formula

C26H42O4

Molecular Weight

418.61

Accurate Mass

418.31

SMILES

O[C@@H]1CC[C@]2([C@@]([H])(C1)/C([C@H]([C@@]3(C2CC[C@]4([C@]3(CC[C@@]4([C@H](C)CCC(O)=O)[H])[H])C)[H])O)=C/C)C

InChI

InChI=1S/C26H42O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23-24,27,30H,6-14H2,1-4H3,(H,28,29)/b17-5-/t15-,16-,18-,19+,20?,21+,23+,24-,25-,26-/m1/s1

IUPAC

(4R)-4-((3R,5R,7S,8S,10R,13R,14S,17R,Z)-6-ethylidene-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat