![Cyclo[ala-pro-phe-ser-thr(rprenyl)-ser(rprenyl)-iie]](/api/spectrum/6cJlIAphbmn/structure.png?h=300&w=458 "Cyclo[ala-pro-phe-ser-thr(rprenyl)-ser(rprenyl)-iie]")
| SpectraBase Compound ID | K3vFo2WZIH8 |
|---|---|
| InChI | InChI=1S/C43H65N7O10/c1-9-27(6)35-41(56)44-28(7)43(58)50-19-13-16-34(50)40(55)45-31(22-30-14-11-10-12-15-30)37(52)46-32(23-51)38(53)49-36(29(8)60-21-18-26(4)5)42(57)47-33(39(54)48-35)24-59-20-17-25(2)3/h10-12,14-15,17-18,27-29,31-36,51H,9,13,16,19-24H2,1-8H3,(H,44,56)(H,45,55)(H,46,52)(H,47,57)(H,48,54)(H,49,53) |
| InChIKey | YNKKZMGASKBTPU-UHFFFAOYSA-N |
| Mol Weight | 840.0 g/mol |
| Molecular Formula | C43H65N7O10 |
| Exact Mass | 839.479291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6cJlIAphbmn |
|---|---|
| Name | Cyclo[ala-pro-phe-ser-thr(rprenyl)-ser(rprenyl)-iie] |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 839.479291311 u |
| Formula | C43H65N7O10 |
| InChI | InChI=1S/C43H65N7O10/c1-9-27(6)35-41(56)44-28(7)43(58)50-19-13-16-34(50)40(55)45-31(22-30-14-11-10-12-15-30)37(52)46-32(23-51)38(53)49-36(29(8)60-21-18-26(4)5)42(57)47-33(39(54)48-35)24-59-20-17-25(2)3/h10-12,14-15,17-18,27-29,31-36,51H,9,13,16,19-24H2,1-8H3,(H,44,56)(H,45,55)(H,46,52)(H,47,57)(H,48,54)(H,49,53) |
| InChIKey | YNKKZMGASKBTPU-UHFFFAOYSA-N |
| Molecular Weight | 840.032 g/mol |
| SMILES | C1(N2C(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC1C)=O)C(CC)C)=O)COCC=C(C)C)=O)C(OCC=C(C)C)C)=O)CO)=O)CC1=CC=CC=C1)=O)CCC2)=O |