Analyte Name

Morphine 3-(Tri-O-acetyl-beta-D-glucuronide) Methyl Ester-d6

Molecular Formula

C30 D6 H29 N O12

Molecular Weight

607.635

Accurate Mass

607.254

SMILES

[2H][C@H]1N([C@@H]2Cc3ccc(O[C@@H]4O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)C(=O)OC)c5O[C@H]6[C@@H](O)C=CC2[C@]6(c35)C1([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C30H35NO12/c1-13(32)38-23-24(39-14(2)33)26(40-15(3)34)29(43-25(23)28(36)37-5)41-20-9-6-16-12-18-17-7-8-19(35)27-30(17,10-11-31(18)4)21(16)22(20)42-27/h6-9,17-19,23-27,29,35H,10-12H2,1-5H3/t17?,18-,19+,23+,24+,25+,26-,27+,29-,30+/m1/s1/i4D3,10D2,11D/t11-,17?,18-,19+,23+,24+,25+,26-,27+,29-,30+

IUPAC

methyl (2S,3S,4S,5R,6S)-6-[[(2R,4R,7S,7aR,12bS)-1,1,2-trideuterio-7-hydroxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-triacetyloxyoxane-2-carboxylate

Unlabelled CAS Number

151250-15-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat