4-Oxo Ascomycin

Analyte Name

4-Oxo Ascomycin

Molecular Formula

C43 H67 N O12

Molecular Weight

789.992

Accurate Mass

789.466

SMILES

CC[C@H]1\C=C(\C)/C[C@H](C)C[C@H](OC)[C@@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H]([C@H](C)[C@@H](O)CC1=O)\C(=C\[C@@H]4CCC(=O)[C@@H](C4)OC)\C

InChI

InChI=1S/C43H67NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-31,33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18-,26-20+/t25-,27+,28+,29-,30-,31+,33-,35+,36-,37-,38-,39-,43+/m0/s1

IUPAC

(1R,9R,12R,13R,14S,17S,18Z,21S,23S,24S,25S,27R)-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-12-[(E)-1-[(1R,3R)-3-methoxy-4-oxocyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat