| SpectraBase Compound ID | FSyvdXKPoYQ |
|---|---|
| InChI | InChI=1S/C40H55N7O12/c1-21(2)32(46-29(48)18-26-15-11-8-12-16-26)39(57)44-27(19-31(50)51)37(55)43-24(6)36(54)47-33(34(52)22(3)4)38(56)41-20-30(49)42-23(5)35(53)45-28(40(58)59)17-25-13-9-7-10-14-25/h7-16,21-24,27-28,32-34,52H,17-20H2,1-6H3,(H,41,56)(H,42,49)(H,43,55)(H,44,57)(H,45,53)(H,46,48)(H,47,54)(H,50,51)(H,58,59)/t23-,24+,27-,28+,32+,33-,34-/m1/s1 |
| InChIKey | AYHQEXAHORNEMG-SNZLTHIJSA-N |
| Mol Weight | 825.9 g/mol |
| Molecular Formula | C40H55N7O12 |
| Exact Mass | 825.39087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7n1NySYGpMK |
|---|---|
| Name | JBIR-78;PAA-VAL-ASP-ALA2-HLE-GLY-ALA1-PHE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H55N7O12 |
| InChI | InChI=1S/C40H55N7O12/c1-21(2)32(46-29(48)18-26-15-11-8-12-16-26)39(57)44-27(19-31(50)51)37(55)43-24(6)36(54)47-33(34(52)22(3)4)38(56)41-20-30(49)42-23(5)35(53)45-28(40(58)59)17-25-13-9-7-10-14-25/h7-16,21-24,27-28,32-34,52H,17-20H2,1-6H3,(H,41,56)(H,42,49)(H,43,55)(H,44,57)(H,45,53)(H,46,48)(H,47,54)(H,50,51)(H,58,59)/t23-,24+,27-,28+,32+,33-,34-/m1/s1 |
| InChIKey | AYHQEXAHORNEMG-SNZLTHIJSA-N |
| Literature Reference Author | M.IZUMIKAWA,M.TAKAGI,K.SHIN-YA |
| Literature Reference Citation | J.NAT.PROD.,75,280(2012) |
| Literature Reference DOI | 10.1021/np2008279 |
| Molecular Weight | 825.916 g/mol |
| Sample ID | 40083 |
| Solvent | DMSO-D6 |