| SpectraBase Compound ID | SVcJdxxiGn |
|---|---|
| InChI | InChI=1S/C36H43N5O7/c1-21(2)18-29-36(48)41(5)31(20-24-12-16-26(43)17-13-24)33(45)38-28-9-7-6-8-27(28)32(44)37-22(3)35(47)40(4)30(34(46)39-29)19-23-10-14-25(42)15-11-23/h6-17,21-22,29-31,42-43H,18-20H2,1-5H3,(H,37,44)(H,38,45)(H,39,46)/t22-,29-,30-,31-/m0/s1 |
| InChIKey | CXJXJVPRDGROSV-RHFBVIABSA-N |
| Mol Weight | 657.8 g/mol |
| Molecular Formula | C36H43N5O7 |
| Exact Mass | 657.316249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KYBIHE2RT2l |
|---|---|
| Name | CYCLOCISPEPTIDE_G |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H43N5O7 |
| InChI | InChI=1S/C36H43N5O7/c1-21(2)18-29-36(48)41(5)31(20-24-12-16-26(43)17-13-24)33(45)38-28-9-7-6-8-27(28)32(44)37-22(3)35(47)40(4)30(34(46)39-29)19-23-10-14-25(42)15-11-23/h6-17,21-22,29-31,42-43H,18-20H2,1-5H3,(H,37,44)(H,38,45)(H,39,46)/t22-,29-,30-,31-/m0/s1 |
| InChIKey | CXJXJVPRDGROSV-RHFBVIABSA-N |
| Literature Reference Author | Y.ZHANG,S.LIU,H.LIU,X.LIU,Y.CHE |
| Literature Reference Citation | J.NAT.PROD.,72,1364(2009) |
| Literature Reference DOI | 10.1021/np900205m |
| Molecular Weight | 657.767 g/mol |
| Sample ID | 33272 |
| Solvent | ACETONE-D6 |