| SpectraBase Compound ID | EmYUZsL4iLL |
|---|---|
| InChI | InChI=1S/C50H75NO18/c1-29-19-17-15-13-11-9-7-8-10-12-14-16-18-20-37(68-49-47(62)44(51-33(5)52)46(61)32(4)67-49)26-41-43(48(63)65-6)40(58)28-50(64,69-41)27-39(57)38(56)22-21-34(53)23-35(54)24-36(55)25-42(59)66-31(3)30(2)45(29)60/h7-20,29-32,34,36-41,43-47,49,53,55-58,60-62,64H,21-28H2,1-6H3,(H,51,52)/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t29-,30+,31+,32-,34-,36?,37?,38-,39-,40-,41-,43-,44+,45+,46-,47+,49+,50+/m0/s1 |
| InChIKey | MKPQDUDRQIMZDK-ZYJJIDIASA-N |
| Mol Weight | 978.1 g/mol |
| Molecular Formula | C50H75NO18 |
| Exact Mass | 977.498415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ArOXithMrNI |
|---|---|
| Name | N-ACETYLMYCOHEPTIN-A2-METHYLESTER;COMPOUN-#1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H75NO18 |
| InChI | InChI=1S/C50H75NO18/c1-29-19-17-15-13-11-9-7-8-10-12-14-16-18-20-37(68-49-47(62)44(51-33(5)52)46(61)32(4)67-49)26-41-43(48(63)65-6)40(58)28-50(64,69-41)27-39(57)38(56)22-21-34(53)23-35(54)24-36(55)25-42(59)66-31(3)30(2)45(29)60/h7-20,29-32,34,36-41,43-47,49,53,55-58,60-62,64H,21-28H2,1-6H3,(H,51,52)/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t29-,30+,31+,32-,34-,36?,37?,38-,39-,40-,41-,43-,44+,45+,46-,47+,49+,50+/m0/s1 |
| InChIKey | MKPQDUDRQIMZDK-ZYJJIDIASA-N |
| Literature Reference Author | M.PLOSINSKI,T.LASKOWSKI,O.SOWINSKI,J.PAWLAK |
| Literature Reference Citation | MAGN.RES.CHEM.,50,818(2012) |
| Literature Reference DOI | 10.1002/mrc.3890 |
| Molecular Weight | 978.141 g/mol |
| Solvent | C5D5N:CD3OD=9:1 |
| Source File Reference | UWLU82416 |