| SpectraBase Compound ID | UyrqwJ5m4w |
|---|---|
| InChI | InChI=1S/C45H36O15/c46-21-7-1-18(2-8-21)40-30(54)15-25-26(50)16-28(52)34(42(25)57-40)37-35-29(53)17-32-36(43(35)58-41(39(37)55)19-3-9-22(47)10-4-19)38-33-27(51)13-24(49)14-31(33)59-45(60-32,44(38)56)20-5-11-23(48)12-6-20/h1-14,16-17,30,37-41,44,46-56H,15H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1 |
| InChIKey | PMDYNLFGCCRGRX-HMQYECKYSA-N |
| Mol Weight | 816.8 g/mol |
| Molecular Formula | C45H36O15 |
| Exact Mass | 816.20542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FPPER9oUUMM |
|---|---|
| Name | SELLIGUEANIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H36O15 |
| InChI | InChI=1S/C45H36O15/c46-21-7-1-18(2-8-21)40-30(54)15-25-26(50)16-28(52)34(42(25)57-40)37-35-29(53)17-32-36(43(35)58-41(39(37)55)19-3-9-22(47)10-4-19)38-33-27(51)13-24(49)14-31(33)59-45(60-32,44(38)56)20-5-11-23(48)12-6-20/h1-14,16-17,30,37-41,44,46-56H,15H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1 |
| InChIKey | PMDYNLFGCCRGRX-HMQYECKYSA-N |
| Literature Reference Author | M.VASANGE,B.LIU,C.J.WELCH,W.ROLFSEN,L.BOHLIN |
| Literature Reference Citation | PLANTA.MED.,63,511(1997) |
| Literature Reference DOI | 10.1055/s-2006-957753 |
| Molecular Weight | 816.772 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP1039 |