| SpectraBase Compound ID | Ax7DlMOYtU0 |
|---|---|
| InChI | InChI=1S/C51H83NO18/c1-18-38-36(26-63-48-46(60-17)45(59-16)43(31(8)64-48)67-33(10)54)23-27(4)21-22-37(56)28(5)24-35(25-39(61-19-2)62-20-3)41(29(6)47(57)51(12,13)50(58)69-38)70-49-44(68-34(11)55)40(52(14)15)42(30(7)65-49)66-32(9)53/h21-23,28-31,35-36,38-46,48-49H,18-20,24-26H2,1-17H3/b22-21+,27-23+/t28-,29-,30-,31+,35-,36-,38-,40+,41-,42-,43+,44-,45+,46+,48+,49+/m1/s1 |
| InChIKey | YLZOKNLVFHLCSG-GWAUQEKRSA-N |
| Mol Weight | 998.2 g/mol |
| Molecular Formula | C51H83NO18 |
| Exact Mass | 997.561015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3l3QSdzrNOD |
|---|---|
| Name | 2,2-DIMETHYL-3-DEHYDRO-2',4',4''-TRI-O-ACETYLDESMYCOSIN-20-DIETHYLACETAL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H83NO18 |
| InChI | InChI=1S/C51H83NO18/c1-18-38-36(26-63-48-46(60-17)45(59-16)43(31(8)64-48)67-33(10)54)23-27(4)21-22-37(56)28(5)24-35(25-39(61-19-2)62-20-3)41(29(6)47(57)51(12,13)50(58)69-38)70-49-44(68-34(11)55)40(52(14)15)42(30(7)65-49)66-32(9)53/h21-23,28-31,35-36,38-46,48-49H,18-20,24-26H2,1-17H3/b22-21+,27-23+/t28-,29-,30-,31+,35-,36-,38-,40+,41-,42-,43+,44-,45+,46+,48+,49+/m1/s1 |
| InChIKey | YLZOKNLVFHLCSG-GWAUQEKRSA-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 | 998.216 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB444 |