Analyte Name

beta-Ergocryptine N-methyl-d3

Molecular Formula

C32 D3 H38 N5 O5

Molecular Weight

578.72

Accurate Mass

578.3296

SMILES

[2H]C([2H])([2H])N1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@@]5(O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H]([C@@H](C)CC)N6C5=O)C(C)C

InChI

InChI=1S/C32H41N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20+,24+,25-,27-,31+,32-/m0/s1/i5D3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat