| SpectraBase Compound ID | Da6Qt0WH5g1 |
|---|---|
| InChI | InChI=1S/C43H59N7O8/c1-5-26(3)35-40(55)44-30(23-28-15-9-7-10-16-28)37(52)46-32(25-51)43(58)50-22-14-20-34(50)39(54)48-36(27(4)6-2)41(56)45-31(24-29-17-11-8-12-18-29)42(57)49-21-13-19-33(49)38(53)47-35/h7-12,15-18,26-27,30-36,51H,5-6,13-14,19-25H2,1-4H3,(H,44,55)(H,45,56)(H,46,52)(H,47,53)(H,48,54)/t26?,27?,30-,31-,32-,33-,34-,35-,36-/m0/s1 |
| InChIKey | IKNYDQPOUFINIU-WDGHTXRNSA-N |
| Mol Weight | 802.0 g/mol |
| Molecular Formula | C43H59N7O8 |
| Exact Mass | 801.442512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F7X9cDGGer3 |
|---|---|
| Name | EURYJANICIN_D;CYCLO-(-PHE-SER-PRO-ILE-PHE-PRO-ILE-) |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H59N7O8 |
| InChI | InChI=1S/C43H59N7O8/c1-5-26(3)35-40(55)44-30(23-28-15-9-7-10-16-28)37(52)46-32(25-51)43(58)50-22-14-20-34(50)39(54)48-36(27(4)6-2)41(56)45-31(24-29-17-11-8-12-18-29)42(57)49-21-13-19-33(49)38(53)47-35/h7-12,15-18,26-27,30-36,51H,5-6,13-14,19-25H2,1-4H3,(H,44,55)(H,45,56)(H,46,52)(H,47,53)(H,48,54)/t26?,27?,30-,31-,32-,33-,34-,35-,36-/m0/s1 |
| InChIKey | IKNYDQPOUFINIU-WDGHTXRNSA-N |
| Literature Reference Author | B.VERA,J.VICENTE,A.D.RODRIGUEZ |
| Literature Reference Citation | J.NAT.PROD.,72,1555(2009) |
| Literature Reference DOI | 10.1021/np9004135 |
| Molecular Weight | 801.984 g/mol |
| Sample ID | 33447 |
| Solvent | CDCl3 |