3-(25-Hydroxy Vitamin D3)propylamino-PEG12-Biotin

Analyte Name

3-(25-Hydroxy Vitamin D3)propylamino-PEG12-Biotin

Molecular Formula

C67 H118 N4 O17 S

Molecular Weight

1283.74

Accurate Mass

1282.8213

SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@H](CCC3=C)OCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)\CCC[C@]12C

InChI

InChI=1S/C67H118N4O17S/c1-53-15-18-57(51-56(53)17-16-55-12-9-23-67(5)58(19-20-59(55)67)54(2)11-8-22-66(3,4)75)88-26-10-24-68-63(73)21-27-76-29-31-78-33-35-80-37-39-82-41-43-84-45-47-86-49-50-87-48-46-85-44-42-83-40-38-81-36-34-79-32-30-77-28-25-69-62(72)14-7-6-13-61-64-60(52-89-61)70-65(74)71-64/h16-17,54,57-61,64,75H,1,6-15,18-52H2,2-5H3,(H,68,73)(H,69,72)(H2,70,71,74)/b55-16+,56-17-/t54-,57+,58-,59+,60+,61+,64+,67-/m1/s1

IUPAC

N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexoxy]propylamino]-3-oxo-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamide

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat