![PSEUDACYCLIN_A;CYCLO-[N-(DELTA)-L-ORN-(1)-(N-1-ACETYL-L-ILE-(6))-D-PHE-(2)-L-PRO-(3)-L-ILE-(4)-L-ILE-(5)]](/api/spectrum/EN9JVg1Wftb/structure.png?h=300&w=458 "PSEUDACYCLIN_A;CYCLO-[N-(DELTA)-L-ORN-(1)-(N-1-ACETYL-L-ILE-(6))-D-PHE-(2)-L-PRO-(3)-L-ILE-(4)-L-ILE-(5)]")
| SpectraBase Compound ID | LZNvpDaEI0N |
|---|---|
| InChI | InChI=1S/C39H61N7O7/c1-8-23(4)31-36(50)40-20-14-18-28(42-37(51)32(24(5)9-2)41-26(7)47)34(48)43-29(22-27-16-12-11-13-17-27)39(53)46-21-15-19-30(46)35(49)44-33(25(6)10-3)38(52)45-31/h11-13,16-17,23-25,28-33H,8-10,14-15,18-22H2,1-7H3,(H,40,50)(H,41,47)(H,42,51)(H,43,48)(H,44,49)(H,45,52)/t23-,24-,25-,28-,29+,30-,31-,32-,33-/m0/s1 |
| InChIKey | RGAWRDNXJUOZMG-XACDJEMLSA-N |
| Mol Weight | 740.0 g/mol |
| Molecular Formula | C39H61N7O7 |
| Exact Mass | 739.463247 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EN9JVg1Wftb |
|---|---|
| Name | PSEUDACYCLIN_A;CYCLO-[N-(DELTA)-L-ORN-(1)-(N-1-ACETYL-L-ILE-(6))-D-PHE-(2)-L-PRO-(3)-L-ILE-(4)-L-ILE-(5)] |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H61N7O7 |
| InChI | InChI=1S/C39H61N7O7/c1-8-23(4)31-36(50)40-20-14-18-28(42-37(51)32(24(5)9-2)41-26(7)47)34(48)43-29(22-27-16-12-11-13-17-27)39(53)46-21-15-19-30(46)35(49)44-33(25(6)10-3)38(52)45-31/h11-13,16-17,23-25,28-33H,8-10,14-15,18-22H2,1-7H3,(H,40,50)(H,41,47)(H,42,51)(H,43,48)(H,44,49)(H,45,52)/t23-,24-,25-,28-,29+,30-,31-,32-,33-/m0/s1 |
| InChIKey | RGAWRDNXJUOZMG-XACDJEMLSA-N |
| Literature Reference Author | K.PAVLASKOVA,J.NEDVED,M.KUZMA,M.ZABKA,M.SULC,J.SKLENAR,P.NOV AK,O.BENADA,O.KOFRON |
| Literature Reference Citation | J.NAT.PROD.,73,1027(2010) |
| Literature Reference DOI | 10.1021/np900472c |
| Molecular Weight | 739.956 g/mol |
| Sample ID | 35621 |
| Solvent | CD3CN |