Analyte Name

(+)-cis-Vincaminic Acid Ethyl-d5 Ester

Molecular Formula

C22 D5 H23 N2 O3

Molecular Weight

373.5

Accurate Mass

373.241

SMILES

[2H]C([2H])([2H])C([2H])([2H])OC(=O)[C@@]1(O)C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c5ccccc45

InChI

InChI=1S/C22H28N2O3/c1-3-21-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(18(16)19(21)23)22(26,14-21)20(25)27-4-2/h5-6,8-9,19,26H,3-4,7,10-14H2,1-2H3/t19-,21+,22+/m1/s1/i2D3,4D2

IUPAC

1,1,2,2,2-pentadeuterioethyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylate

Unlabelled CAS Number

40163-56-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat