| SpectraBase Compound ID | Jcs9eDCfMww |
|---|---|
| InChI | InChI=1S/C17H21N3O12/c1-29-10-9(24)14(20-3-2-7(22)19-17(20)28)31-11(10)12(13(18)25)32-16-8(23)5(21)4-6(30-16)15(26)27/h2-5,8-12,14,16,21,23-24H,1H3,(H2,18,25)(H,26,27)(H,19,22,28)/t5-,8-,9+,10-,11-,12-,14+,16+/m0/s1 |
| InChIKey | HSYSEXUSWSMTOS-ZQWDBYTHSA-N |
| Mol Weight | 459.36 g/mol |
| Molecular Formula | C17H21N3O12 |
| Exact Mass | 459.112523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JbWDMulBrYA |
|---|---|
| Name | A-500359-F |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H21N3O12 |
| InChI | InChI=1S/C17H21N3O12/c1-29-10-9(24)14(20-3-2-7(22)19-17(20)28)31-11(10)12(13(18)25)32-16-8(23)5(21)4-6(30-16)15(26)27/h2-5,8-12,14,16,21,23-24H,1H3,(H2,18,25)(H,26,27)(H,19,22,28)/t5-,8-,9+,10-,11-,12-,14+,16+/m0/s1 |
| InChIKey | HSYSEXUSWSMTOS-ZQWDBYTHSA-N |
| Literature Reference Author | Y.MURAMATSU,S.MIYAKOSHI,Y.OGAWA,T.OHNUKI,M.M.ISHII,M.ARAI,T. TAKATSU,M.INUKAI |
| Literature Reference Citation | J.ANTIBIOTICS,56,259(2003) |
| Literature Reference DOI | 10.7164/antibiotics.56.259 |
| Molecular Weight | 459.367 g/mol |
| Solvent | D2O |
| Source File Reference | UWSI7514 |