![2-[BETA]-METHYL-3-EPI-9-HYDRO-2',4',4''-TRI-O-ACETYLDESMYCOSIN-20-DIETHYLACETAL](/api/spectrum/AycIqxLBkIe/structure.png?h=300&w=458 "2-[BETA]-METHYL-3-EPI-9-HYDRO-2',4',4''-TRI-O-ACETYLDESMYCOSIN-20-DIETHYLACETAL")
| SpectraBase Compound ID | C7pNuWnb8ci |
|---|---|
| InChI | InChI=1S/C50H85NO18/c1-17-38-36(25-62-49-47(59-16)46(58-15)44(31(9)63-49)66-33(11)53)22-26(4)20-21-37(55)27(5)23-35(24-39(60-18-2)61-19-3)42(28(6)41(56)29(7)48(57)68-38)69-50-45(67-34(12)54)40(51(13)14)43(30(8)64-50)65-32(10)52/h20-22,27-31,35-47,49-50,55-56H,17-19,23-25H2,1-16H3/b21-20+,26-22+/t27-,28+,29-,30-,31+,35-,36-,37?,38-,40+,41-,42-,43-,44+,45-,46+,47+,49+,50+/m1/s1 |
| InChIKey | CICUBPFGJWVNLZ-XRAOVUCXSA-N |
| Mol Weight | 988.2 g/mol |
| Molecular Formula | C50H85NO18 |
| Exact Mass | 987.576665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AycIqxLBkIe |
|---|---|
| Name | 2-[BETA]-METHYL-3-EPI-9-HYDRO-2',4',4''-TRI-O-ACETYLDESMYCOSIN-20-DIETHYLACETAL |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H85NO18 |
| InChI | InChI=1S/C50H85NO18/c1-17-38-36(25-62-49-47(59-16)46(58-15)44(31(9)63-49)66-33(11)53)22-26(4)20-21-37(55)27(5)23-35(24-39(60-18-2)61-19-3)42(28(6)41(56)29(7)48(57)68-38)69-50-45(67-34(12)54)40(51(13)14)43(30(8)64-50)65-32(10)52/h20-22,27-31,35-47,49-50,55-56H,17-19,23-25H2,1-16H3/b21-20+,26-22+/t27-,28+,29-,30-,31+,35-,36-,37?,38-,40+,41-,42-,43-,44+,45-,46+,47+,49+,50+/m1/s1 |
| InChIKey | CICUBPFGJWVNLZ-XRAOVUCXSA-N |
| Literature Reference Author | Y.TERUI,K.KINOSHITA,Y.KANEDA,T.AKASHI,T.HAMAGUCHI,A.KAWASHIM A |
| Literature Reference Citation | J.ANTIBIOTICS,59,98(2006) |
| Literature Reference DOI | 10.1038/ja.2006.14 |
| Molecular Weight | 988.221 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB445 |