23-Monoketo Rifabutin

Analyte Name

23-Monoketo Rifabutin

Molecular Formula

C46 H58 N4 O11

Molecular Weight

842.973

Accurate Mass

842.41

SMILES

CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C5NC6(CCN(CC(C)C)CC6)N=C5c4c3C2=O)NC(=O)\C(=C\C=C\C(=C(/O)\[C@@H](C)C(=O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)\C

InChI

InChI=1S/C46H58N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22,25-27,30,41,49,52,54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14+,37-23-/t25-,26-,27-,30+,41-,45+/m1/s1

IUPAC

[(7S,9E,11S,12R,13R,14S,16R,17Z,19E,21E)-2,17-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,15,23,32-tetraoxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1,3,5(31),9,17,19,21,25,29-nonaene-28,4'-piperidine]-13-yl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat