Analyte Name

alpha-Ergocryptine-d3

CAS Number

1794783-50-8

Molecular Formula

C32 D3 H38 N5 O5

Molecular Weight

578.717

Accurate Mass

578.33

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(CC(C)C)N6C5=O)C(C)C

InChI

InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25?,26+,31+,32+/m1/s1/i5D3

IUPAC

(6aR,9R)-N-[(1S,2S,4S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-(trideuteriomethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat