| SpectraBase Compound ID | HIFgaZIUqMR |
|---|---|
| InChI | InChI=1S/C18H22N4O13/c1-31-9-10(11(13(19)26)34-16-8(25)5(23)4-6(32-16)15(27)28)33-14(12(9)35-17(20)29)22-3-2-7(24)21-18(22)30/h2-5,8-12,14,16,23,25H,1H3,(H2,19,26)(H2,20,29)(H,27,28)(H,21,24,30)/t5?,8?,9-,10+,11?,12-,14-,16?/m1/s1 |
| InChIKey | RNRCUOCMUNIOMZ-IFSRUOKISA-N |
| Mol Weight | 502.39 g/mol |
| Molecular Formula | C18H22N4O13 |
| Exact Mass | 502.118337 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8t1qC1iicDQ |
|---|---|
| Name | A-503083-F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H22N4O13 |
| InChI | InChI=1S/C18H22N4O13/c1-31-9-10(11(13(19)26)34-16-8(25)5(23)4-6(32-16)15(27)28)33-14(12(9)35-17(20)29)22-3-2-7(24)21-18(22)30/h2-5,8-12,14,16,23,25H,1H3,(H2,19,26)(H2,20,29)(H,27,28)(H,21,24,30)/t5?,8?,9-,10+,11?,12-,14-,16?/m1/s1 |
| InChIKey | RNRCUOCMUNIOMZ-IFSRUOKISA-N |
| Literature Reference Author | Y.MURAMATSU,T.OHNUKI,M.M.ISHII,M.KIZUKA,R.ENOKITA,S.MIYAKOSH I,T.TAKATSU,M.INUKAI |
| Literature Reference Citation | J.ANTIBIOTICS,57,639(2004) |
| Literature Reference DOI | 10.7164/antibiotics.57.639 |
| Molecular Weight | 502.392 g/mol |
| Sample ID | 65793 |
| Solvent | DMSO-D6 |