| SpectraBase Compound ID | JzvakbY39mv |
|---|---|
| InChI | InChI=1S/C22H28N4O13/c1-3-4-8(20(33)34)24-18(32)10-7-9(27)12(29)21(37-10)39-16(17(23)31)15-14(36-2)13(30)19(38-15)26-6-5-11(28)25-22(26)35/h3,5-9,12-16,19,21,27,29-30H,1,4H2,2H3,(H2,23,31)(H,24,32)(H,33,34)(H,25,28,35)/t8?,9-,12-,13?,14?,15-,16-,19+,21+/m0/s1 |
| InChIKey | UEMBCXUUNULNRG-MXCTWOQDSA-N |
| Mol Weight | 556.48 g/mol |
| Molecular Formula | C22H28N4O13 |
| Exact Mass | 556.165287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLYbtCzHkjC |
|---|---|
| Name | A-500359-M-3 |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28N4O13 |
| InChI | InChI=1S/C22H28N4O13/c1-3-4-8(20(33)34)24-18(32)10-7-9(27)12(29)21(37-10)39-16(17(23)31)15-14(36-2)13(30)19(38-15)26-6-5-11(28)25-22(26)35/h3,5-9,12-16,19,21,27,29-30H,1,4H2,2H3,(H2,23,31)(H,24,32)(H,33,34)(H,25,28,35)/t8?,9-,12-,13?,14?,15-,16-,19+,21+/m0/s1 |
| InChIKey | UEMBCXUUNULNRG-MXCTWOQDSA-N |
| Literature Reference Author | T.OHNUKI,Y.MURAMATSU,S.MIYAKOSHI,T.TAKATSU,M.INUKAI |
| Literature Reference Citation | J.ANTIBIOTICS,56,268(2003) |
| Literature Reference DOI | 10.7164/antibiotics.56.268 |
| Molecular Weight | 556.483 g/mol |
| Solvent | D2O |
| Source File Reference | UWSI7520 |