Norbuprenorphine Ring-closed Demethyl Dehydroxy 3-Beta-D-Glucuronide

Analyte Name

Norbuprenorphine Ring-closed Demethyl Dehydroxy 3-beta-D-Glucuronide

Molecular Formula

C30H39NO9

Molecular Weight

557.63

Accurate Mass

557.26

SMILES

O[C@H]1[C@H](O)[C@@H](C(O)=O)O[C@@H](OC2=C(O3)C([C@@]4([C@@H]3[C@](CC5)(OC(C)(C)C6(C)C)[C@]6([H])C7)[C@@]75[C@H](NCC4)C8)=C8C=C2)[C@@H]1O

InChI

InChI=1S/C30H39NO9/c1-26(2)15-12-28-7-8-30(15,40-27(26,3)4)25-29(28)9-10-31-16(28)11-13-5-6-14(21(39-25)17(13)29)37-24-20(34)18(32)19(33)22(38-24)23(35)36/h5-6,15-16,18-20,22,24-25,31-34H,7-12H2,1-4H3,(H,35,36)/t15-,16-,18+,19+,20-,22+,24-,25-,28-,29+,30-/m1/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(((4bS,8R,8aS,9aR,12aR,12bR)-10,10,11,11-tetramethyl-5,6,7,8,9,9a,10,11-octahydro-12bH-8a,12a-ethano-4,8-methanobenzofuro[3,2-e]furo[2,3-g]isoquinolin-1-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat