| SpectraBase Compound ID | 9nSakQaenjO |
|---|---|
| InChI | InChI=1S/C27H36N2O5/c1-17-12-13-19(3)34-27(33)23-11-8-14-29(23)26(32)22(16-21-9-6-5-7-10-21)28-25(31)20(4)24(30)18(2)15-17/h5-7,9-10,15,17,19-20,22-23H,8,11-14,16H2,1-4H3,(H,28,31)/b18-15+/t17-,19-,20+,22+,23+/m1/s1 |
| InChIKey | OQMLOMRYHZYBNH-MTXYPNDYSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C27H36N2O5 |
| Exact Mass | 468.262422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IWRMLjDTzkI |
|---|---|
| Name | CALCARIPEPTIDE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36N2O5 |
| InChI | InChI=1S/C27H36N2O5/c1-17-12-13-19(3)34-27(33)23-11-8-14-29(23)26(32)22(16-21-9-6-5-7-10-21)28-25(31)20(4)24(30)18(2)15-17/h5-7,9-10,15,17,19-20,22-23H,8,11-14,16H2,1-4H3,(H,28,31)/b18-15+/t17-,19-,20+,22+,23+/m1/s1 |
| InChIKey | OQMLOMRYHZYBNH-MTXYPNDYSA-N |
| Literature Reference Author | J.SILBER,B.OHLENDORF,A.LABES,C.NAETHER,J.F.IMHOFF |
| Literature Reference Citation | J.NAT.PROD.,76,1461(2013) |
| Literature Reference DOI | 10.1021/np400262t |
| Molecular Weight | 468.593 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ43037 |