25-Hydroxy Vitamin D3 3,3'-Biotinylaminopropyl Ether

Analyte Name

25-Hydroxy Vitamin D3 3,3'-Biotinylaminopropyl Ether

CAS Number

193278-59-0

Molecular Formula

C40H65N3O4S

Molecular Weight

684.03

Accurate Mass

683.47

SMILES

OC(C)(CCC[C@H]([C@H](CCC1/2)[C@@]1(C)CCCC2=C/C=C3C[C@@H](OCCCNC(CCCC[C@@H]4[C@@]5([C@]([H])(CS4)NC(N5)=O)[H])=O)CCC/3=C)C)C

InChI

InChI=1S/C40H65N3O4S/c1-27-15-18-31(47-24-10-23-41-36(44)14-7-6-13-35-37-34(26-48-35)42-38(45)43-37)25-30(27)17-16-29-12-9-22-40(5)32(19-20-33(29)40)28(2)11-8-21-39(3,4)46/h16-17,28,31-35,37,46H,1,6-15,18-26H2,2-5H3,(H,41,44)(H2,42,43,45)/b29-16+,30-17-/t28-,31+,32+,33?,34+,35-,37+,40-/m1/s1

IUPAC

N-(3-(((1S,Z)-3-(2-((1S,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)propyl)-5-((3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat

API Family

Vitamin D3