Analyte Name

3-Formyl Rifapentine Quinone

CAS Number

27557-15-9

Molecular Formula

C38H45NO13

Molecular Weight

723.77

Accurate Mass

723.29

SMILES

O=C1C(C=O)=C2C(C3=C(C(C)=C(C4=C31)O[C@@](C)(C4=O)O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(C(N2)=O)\C)C)O)C)O)C)OC(C)=O)C)OC)O)=O

InChI

InChI=1S/C38H45NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-44H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12+/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1

Country of Origin

CANADA

Product Format

Neat