Analyte Name

(2R,3R,4S,5S,6S)-N-(3-(5H-Dibenzo[a,d][7]annulen-5-ylidene)propyl)-3,4,5-tris(isobutyryloxy)-6-(methoxycarbonyl)-N,N-dimethyltetrahydro-2H-pyran-2-aminium Triflate

Molecular Formula

C39H50NO9 •CF3O3S

Molecular Weight

825.89

Accurate Mass

825.3

SMILES

C[N+]([C@@H]([C@@H]1OC(C(C)C)=O)O[C@H](C(OC)=O)[C@H]([C@@H]1OC(C(C)C)=O)OC(C(C)C)=O)(C)CC/C=C2C(C=CC=C3)=C3C=CC4=CC=CC=C4\2.FC(F)(S(=O)([O-])=O)F

InChI

InChI=1S/C39H50NO9.CHF3O3S/c1-23(2)36(41)47-31-32(48-37(42)24(3)4)34(39(44)45-9)46-35(33(31)49-38(43)25(5)6)40(7,8)22-14-19-30-28-17-12-10-15-26(28)20-21-27-16-11-13-18-29(27)30;2-1(3,4)8(5,6)7/h10-13,15-21,23-25,31-35H,14,22H2,1-9H3;(H,5,6,7)/q+1;/p-1/t31-,32-,33+,34-,35+;/m0./s1

IUPAC

(2R,3R,4S,5S,6S)-N-(3-(5H-dibenzo[a,d][7]annulen-5-ylidene)propyl)-3,4,5-tris(isobutyryloxy)-6-(methoxycarbonyl)-N,N-dimethyltetrahydro-2H-pyran-2-aminiumtrifluoromethanesulfonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat