| SpectraBase Compound ID | 3cM0gt4XAIr |
|---|---|
| InChI | InChI=1S/C36H38N2O9/c1-20(2)17-27(39)37-26-11-8-16-38(26)33(40)30-28(21-9-6-5-7-10-21)36(22-12-14-23(43-3)15-13-22)34(41)35(30,42)29-24(47-36)18-25-31(32(29)44-4)46-19-45-25/h5-7,9-10,12-15,17-18,26,28,30,34,41-42H,8,11,16,19H2,1-4H3,(H,37,39)/t26?,28-,30+,34?,35+,36+/m1/s1 |
| InChIKey | IJAPXRMOHJNENE-XKAQTOBOSA-N |
| Mol Weight | 642.7 g/mol |
| Molecular Formula | C36H38N2O9 |
| Exact Mass | 642.257731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FlkDiS0aJIg |
|---|---|
| Name | 19,20-DEHYDROEDULIRIN_A |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H38N2O9 |
| InChI | InChI=1S/C36H38N2O9/c1-20(2)17-27(39)37-26-11-8-16-38(26)33(40)30-28(21-9-6-5-7-10-21)36(22-12-14-23(43-3)15-13-22)34(41)35(30,42)29-24(47-36)18-25-31(32(29)44-4)46-19-45-25/h5-7,9-10,12-15,17-18,26,28,30,34,41-42H,8,11,16,19H2,1-4H3,(H,37,39)/t26?,28-,30+,34?,35+,36+/m1/s1 |
| InChIKey | IJAPXRMOHJNENE-XKAQTOBOSA-N |
| Literature Reference Author | S.KIM,Y.W.CHIN,B.N.SU,S.RISWAN,L.B.S.KARDONO,J.J.AFRIASTINI, H.CHAI,N.R.FARNSWORT |
| Literature Reference Citation | J.NAT.PROD.,69,1769(2006) |
| Literature Reference DOI | 10.1021/np060428x |
| Molecular Weight | 642.706 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ17666 |