| SpectraBase Compound ID | 46iax7Mogrz |
|---|---|
| InChI | InChI=1S/C22H29N5O12/c23-17(33)16(15-13(31)14(32)20(38-15)27-6-4-11(29)26-22(27)36)39-21-12(30)9(28)7-10(37-21)19(35)25-8-3-1-2-5-24-18(8)34/h4,6-9,12-16,20-21,28,30-32H,1-3,5H2,(H2,23,33)(H,24,34)(H,25,35)(H,26,29,36)/t8-,9-,12-,13-,14+,15-,16-,20+,21+/m1/s1 |
| InChIKey | ROPNVEBUXSKZCY-PYXDGTMSSA-N |
| Mol Weight | 555.5 g/mol |
| Molecular Formula | C22H29N5O12 |
| Exact Mass | 555.181271 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KiqRhCdygXY |
|---|---|
| Name | A-500359-G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H29N5O12 |
| InChI | InChI=1S/C22H29N5O12/c23-17(33)16(15-13(31)14(32)20(38-15)27-6-4-11(29)26-22(27)36)39-21-12(30)9(28)7-10(37-21)19(35)25-8-3-1-2-5-24-18(8)34/h4,6-9,12-16,20-21,28,30-32H,1-3,5H2,(H2,23,33)(H,24,34)(H,25,35)(H,26,29,36)/t8-,9-,12-,13-,14+,15-,16-,20+,21+/m1/s1 |
| InChIKey | ROPNVEBUXSKZCY-PYXDGTMSSA-N |
| Literature Reference Author | Y.MURAMATSU,A.MURAMATSU,T.OHNUKI,M.MIYAZAWA,M.KIZUKA,R.ENOKI TA,S.TSUTSUMI,M.ARAI |
| Literature Reference Citation | J.ANTIBIOTICS,56,243(2003) |
| Literature Reference DOI | 10.7164/antibiotics.56.243 |
| Molecular Weight | 555.499 g/mol |
| Solvent | D2O |
| Source File Reference | UWSI7509 |