| SpectraBase Compound ID | BbUPqki0EV5 |
|---|---|
| InChI | InChI=1S/C22H31N5O12/c1-25-5-3-8(20(34)35)26(2)18(33)11(25)16(39-21-15(32)12(29)9(7-23)37-21)17-13(30)14(31)19(38-17)27-6-4-10(28)24-22(27)36/h3-4,6,9,11-17,19,21,29-32H,5,7,23H2,1-2H3,(H,34,35)(H,24,28,36)/t9-,11+,12-,13+,14-,15-,16-,17+,19-,21+/m0/s1 |
| InChIKey | NNRRJUQQUMBTMH-MDDDJTLCSA-N |
| Mol Weight | 557.51 g/mol |
| Molecular Formula | C22H31N5O12 |
| Exact Mass | 557.196921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ISZaOlGkBh7 |
|---|---|
| Name | CAPRAZENE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H31N5O12 |
| InChI | InChI=1S/C22H31N5O12/c1-25-5-3-8(20(34)35)26(2)18(33)11(25)16(39-21-15(32)12(29)9(7-23)37-21)17-13(30)14(31)19(38-17)27-6-4-10(28)24-22(27)36/h3-4,6,9,11-17,19,21,29-32H,5,7,23H2,1-2H3,(H,34,35)(H,24,28,36)/t9-,11+,12-,13+,14-,15-,16-,17+,19-,21+/m0/s1 |
| InChIKey | NNRRJUQQUMBTMH-MDDDJTLCSA-N |
| Literature Reference Author | M.IGARASHI,Y.TAKAHASHI,T.SHITARA,H.NAKAMURA,H.NAGANAWA,T.MIY AKE,Y.AKAMATSU |
| Literature Reference Citation | J.ANTIBIOTICS,58,327(2005) |
| Literature Reference DOI | 10.1038/ja.2005.41 |
| Molecular Weight | 557.514 g/mol |
| Sample ID | 54 |
| Solvent | D2O |