| SpectraBase Compound ID | A8oAdMFk3ax |
|---|---|
| InChI | InChI=1S/C36H53N7O9/c1-20(2)15-24-32(48)41-26(16-21(3)4)35(51)42-13-5-7-28(42)34(50)40-25(17-22-9-11-23(45)12-10-22)31(47)37-18-30(46)38-27(19-44)36(52)43-14-6-8-29(43)33(49)39-24/h9-12,20-21,24-29,44-45H,5-8,13-19H2,1-4H3,(H,37,47)(H,38,46)(H,39,49)(H,40,50)(H,41,48) |
| InChIKey | JXSBDUVWEXYABO-UHFFFAOYSA-N |
| Mol Weight | 727.9 g/mol |
| Molecular Formula | C36H53N7O9 |
| Exact Mass | 727.390476 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | U0w5xicJ8e |
|---|---|
| Name | CITRUSIN-III |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H53N7O9 |
| InChI | InChI=1S/C36H53N7O9/c1-20(2)15-24-32(48)41-26(16-21(3)4)35(51)42-13-5-7-28(42)34(50)40-25(17-22-9-11-23(45)12-10-22)31(47)37-18-30(46)38-27(19-44)36(52)43-14-6-8-29(43)33(49)39-24/h9-12,20-21,24-29,44-45H,5-8,13-19H2,1-4H3,(H,37,47)(H,38,46)(H,39,49)(H,40,50)(H,41,48) |
| InChIKey | JXSBDUVWEXYABO-UHFFFAOYSA-N |
| Literature Reference Author | Y.MATSUBARA,T.YUSA,A.SAWABE,Y.IITZUKA,S.I.TAKEKUMA,Y.YOSHIDA |
| Literature Reference Citation | AGR.BIOL.CHEM.,55,2923(1991) |
| Literature Reference DOI | 10.1271/bbb1961.55.2923 |
| Molecular Weight | 727.858 g/mol |
| Solvent | Unknown |
| Source File Reference | UWBT7834 |