| SpectraBase Compound ID | 2SxGVZN2OJX |
|---|---|
| InChI | InChI=1S/C27H33N7O13S/c28-27(33-24(41)13-4-1-7-17(35)20(13)37)29-10-2-5-15(25(42)30-12-19(36)31-16-6-3-11-34(44)26(16)43)32-23(40)14-8-9-18(48(45,46)47)22(39)21(14)38/h1,4,7-9,15-16,35,37-39,44H,2-3,5-6,10-12H2,(H,30,42)(H,31,36)(H,32,40)(H,45,46,47)(H3,28,29,33,41)/t15-,16+/m1/s1 |
| InChIKey | AAZGAWHIAQHAKU-CVEARBPZSA-N |
| Mol Weight | 695.7 g/mol |
| Molecular Formula | C27H33N7O13S |
| Exact Mass | 695.185705 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UW8ekr31Zr |
|---|---|
| Name | HETEROBACTIN_S2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32N7O13S |
| InChI | InChI=1S/C27H33N7O13S/c28-27(33-24(41)13-4-1-7-17(35)20(13)37)29-10-2-5-15(25(42)30-12-19(36)31-16-6-3-11-34(44)26(16)43)32-23(40)14-8-9-18(48(45,46)47)22(39)21(14)38/h1,4,7-9,15-16,35,37-39,44H,2-3,5-6,10-12H2,(H,30,42)(H,31,36)(H,32,40)(H,45,46,47)(H3,28,29,33,41)/t15-,16+/m1/s1 |
| InChIKey | AAZGAWHIAQHAKU-CVEARBPZSA-N |
| Literature Reference Author | M.BOSELLO,M.ZEYADI,F.I.KRAAS,U.LINNE,X.XIE,M.A.MARAHIEL |
| Literature Reference Citation | J.NAT.PROD.,76,2282(2013) |
| Literature Reference DOI | 10.1021/np4006579 |
| Molecular Weight | 694.650 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ43576 |