| SpectraBase Compound ID | DOFH8uphMnP |
|---|---|
| InChI | InChI=1S/C27H44N8O12/c28-5-1-13(39)7-15-21(42)29-6-2-20(41)30-16(10-36)22(43)32-18(12-38)24(45)34-27(3-4-27)26(47)35-9-14(40)8-19(35)25(46)33-17(11-37)23(44)31-15/h13-19,36-40H,1-12,28H2,(H,29,42)(H,30,41)(H,31,44)(H,32,43)(H,33,46)(H,34,45)/p+1/t13-,14+,15+,16+,17-,18-,19-/m0/s1 |
| InChIKey | RBBMDAKGTMLVAP-LPJTWDLVSA-O |
| Mol Weight | 673.7 g/mol |
| Molecular Formula | C27H45N8O12 |
| Exact Mass | 673.315694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4dLMFbbfJAu |
|---|---|
| Name | SERINOCYCLIN_A;CYCLO-(ACC-HYP-SER-1-HYLYS-BETA-ALA-SER-2-SER-3) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H45N8O12 |
| InChI | InChI=1S/C27H44N8O12/c28-5-1-13(39)7-15-21(42)29-6-2-20(41)30-16(10-36)22(43)32-18(12-38)24(45)34-27(3-4-27)26(47)35-9-14(40)8-19(35)25(46)33-17(11-37)23(44)31-15/h13-19,36-40H,1-12,28H2,(H,29,42)(H,30,41)(H,31,44)(H,32,43)(H,33,46)(H,34,45)/p+1/t13-,14+,15+,16+,17-,18-,19-/m0/s1 |
| InChIKey | RBBMDAKGTMLVAP-LPJTWDLVSA-O |
| Literature Reference Author | S.B.KRASNOFF,I.KERESZTES,R.E.GILLILAN,D.M.E.SZEBENYI,B.G.G.D ONZELLI,A.C.L.CHURCH |
| Literature Reference Citation | J.NAT.PROD.,70,1919(2007) |
| Literature Reference DOI | 10.1021/np070407i |
| Molecular Weight | 673.701 g/mol |
| Sample ID | 31179 |
| Solvent | CD3OH |