25-Hydroxy Vitamin D3 3,3’-Aminopropyl Ether

Analyte Name

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

CAS Number

163018-26-6

Molecular Formula

C30 H51 N O2

Molecular Weight

457.73

Accurate Mass

457.392

Flash Point

-20

SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(C)\C(=C\C=C/3\C[C@H](CCC3=C)OCCN)\CCC[C@]12C

InChI

InChI=1S/C30H51NO2/c1-22-11-14-26(33-20-19-31)21-24(22)12-13-25-10-8-17-30(6)27(15-18-29(25,30)5)23(2)9-7-16-28(3,4)32/h12-13,23,26-27,32H,1,7-11,14-21,31H2,2-6H3/b24-12-,25-13+/t23-,26+,27-,29+,30-/m1/s1

IUPAC

(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-(2-aminoethoxy)-2-methylidenecyclohexylidene]ethylidene]-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat