| SpectraBase Compound ID | 6cD4z8tRZYp |
|---|---|
| InChI | InChI=1S/C34H59NO15/c1-5-6-10-20(3)32(50-30(43)18-23(34(47)48)16-28(40)41)26(49-29(42)17-22(33(45)46)15-27(38)39)14-19(2)13-24(36)11-8-7-9-12-25(37)31(44)21(4)35/h19-26,31-32,36-37,44H,5-18,35H2,1-4H3,(H,38,39)(H,40,41)(H,45,46)(H,47,48)/t19-,20-,21+,22?,23?,24+,25+,26+,31+,32-/m0/s1 |
| InChIKey | IYHQYIAATKLXJR-CBYORZNGSA-N |
| Mol Weight | 721.8 g/mol |
| Molecular Formula | C34H59NO15 |
| Exact Mass | 721.38847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Cpo5O2fzY5 |
|---|---|
| Name | ISO-FUMONISIN-B1;ISO-FB1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H59NO15 |
| InChI | InChI=1S/C34H59NO15/c1-5-6-10-20(3)32(50-30(43)18-23(34(47)48)16-28(40)41)26(49-29(42)17-22(33(45)46)15-27(38)39)14-19(2)13-24(36)11-8-7-9-12-25(37)31(44)21(4)35/h19-26,31-32,36-37,44H,5-18,35H2,1-4H3,(H,38,39)(H,40,41)(H,45,46)(H,47,48)/t19-,20-,21+,22?,23?,24+,25+,26+,31+,32-/m0/s1 |
| InChIKey | IYHQYIAATKLXJR-CBYORZNGSA-N |
| Literature Reference Author | S.E.MACKENZIE,M.E.SAVARD,B.A.BLACKWELL,J.D.MILLER,J.W.APSIMO N |
| Literature Reference Citation | J.NAT.PROD.,61,367(1998) |
| Literature Reference DOI | 10.1021/np970437t |
| Molecular Weight | 721.840 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWGS39 |