| SpectraBase Compound ID | K45tzx6aaKh |
|---|---|
| InChI | InChI=1S/C27H44N8O11/c28-7-2-1-3-15-21(41)29-8-4-20(40)30-16(11-36)22(42)32-18(13-38)24(44)34-27(5-6-27)26(46)35-10-14(39)9-19(35)25(45)33-17(12-37)23(43)31-15/h14-19,36-39H,1-13,28H2,(H,29,41)(H,30,40)(H,31,43)(H,32,42)(H,33,45)(H,34,44)/p+1/t14-,15-,16-,17+,18+,19+/m1/s1 |
| InChIKey | GWGAXRUGGRQBFQ-VWQYPGANSA-O |
| Mol Weight | 657.7 g/mol |
| Molecular Formula | C27H45N8O11 |
| Exact Mass | 657.320779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8sZ9Ara2VgL |
|---|---|
| Name | SERINOCYCLIN_B;CYCLO-(ACC-HYP-SER-1-LYS-BETA-ALA-SER-2-SER-3) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H45N8O11 |
| InChI | InChI=1S/C27H44N8O11/c28-7-2-1-3-15-21(41)29-8-4-20(40)30-16(11-36)22(42)32-18(13-38)24(44)34-27(5-6-27)26(46)35-10-14(39)9-19(35)25(45)33-17(12-37)23(43)31-15/h14-19,36-39H,1-13,28H2,(H,29,41)(H,30,40)(H,31,43)(H,32,42)(H,33,45)(H,34,44)/p+1/t14-,15-,16-,17+,18+,19+/m1/s1 |
| InChIKey | GWGAXRUGGRQBFQ-VWQYPGANSA-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 | 657.701 g/mol |
| Sample ID | 31180 |
| Solvent | CD3OH |