FK-506-13C,D2 (Major) (Tacrolimus) (>85%)

Analyte Name

Tacrolimus (13C,D2)

CAS Number

1356841-89-8

Molecular Formula

13C C43 D2 H67 N O12

Molecular Weight

807.02

Accurate Mass

806.4979

SMILES

[2H][13C](=CC[C@@H]1\C=C(/C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N3CCC[C@H](C3)C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)\C(=C\[C@@H]4CC[C@@H](O)[C@@H](C4)OC)\C)[2H]

InChI

InChI=1S/C44H69NO12/c1-10-12-31-18-25(2)17-26(3)19-37(54-8)40-38(55-9)21-28(5)44(52,57-40)41(49)42(50)45-16-11-13-32(24-45)43(51)56-39(29(6)34(47)23-35(31)48)27(4)20-30-14-15-33(46)36(22-30)53-7/h10,18,20,26,28-34,36-40,46-47,52H,1,11-17,19,21-24H2,2-9H3/b25-18+,27-20+/t26-,28+,29+,30-,31+,32+,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1/i1+1D2

Unlabelled CAS Number

104987-11-3

SIL Type

Deuterium, Carbon

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Tacrolimus