Beloranib-d6

Analyte Name

Beloranib-d6

CAS Number

2714474-09-4

Molecular Formula

C29H35D6NO6

Molecular Weight

505.68

Accurate Mass

505.33

SMILES

[H][C@@]1([C@]2(C)[C@H](O2)C/C=C(C)\C)[C@@]3(CO3)CC[C@@H](OC(/C=C/C4=CC=C(OCCN(C([2H])([2H])[2H])C([2H])([2H])[2H])C=C4)=O)[C@H]1OC

InChI

InChI=1S/C29H41NO6/c1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5/h7-12,14,23-24,26-27H,13,15-19H2,1-6H3/b14-10+/t23-,24-,26-,27-,28+,29+/m1/s1/i4D3,5D3

IUPAC

(3R,4S,5S,6R)-5-methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro[2.5]octan-6-yl (E)-3-(4-(2-(bis(methyl-d3)amino)ethoxy)phenyl)acrylate

Unlabelled CAS Number

251111-30-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat