| SpectraBase Compound ID | DCqnCtAANKo |
|---|---|
| InChI | InChI=1S/C37H51N5O6/c1-9-10-11-13-16-25(2)35(45)42(7)32(24-28-17-14-12-15-18-28)34(44)39-26(3)36(46)40(5)27(4)37(47)41(6)31(33(38)43)23-29-19-21-30(48-8)22-20-29/h1,12,14-15,17-22,25-27,31-32H,10-11,13,16,23-24H2,2-8H3,(H2,38,43)(H,39,44)/t25-,26+,27+,31-,32+/m1/s1 |
| InChIKey | JAYHQHZOWYDLDQ-KZNSCSPQSA-N |
| Mol Weight | 661.8 g/mol |
| Molecular Formula | C37H51N5O6 |
| Exact Mass | 661.383934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5wapFbaF5y8 |
|---|---|
| Name | DRAGOMABIN;MINOR_CONFORMER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H51N5O6 |
| InChI | InChI=1S/C37H51N5O6/c1-9-10-11-13-16-25(2)35(45)42(7)32(24-28-17-14-12-15-18-28)34(44)39-26(3)36(46)40(5)27(4)37(47)41(6)31(33(38)43)23-29-19-21-30(48-8)22-20-29/h1,12,14-15,17-22,25-27,31-32H,10-11,13,16,23-24H2,2-8H3,(H2,38,43)(H,39,44)/t25-,26+,27+,31-,32+/m1/s1 |
| InChIKey | JAYHQHZOWYDLDQ-KZNSCSPQSA-N |
| Literature Reference Author | K.L.MCPHAIL,J.CORREA,R.G.LININGTON,J.GONZALEZ,E.ORTEGA-BARRI A,T.L.CAPSON,W.H.GER |
| Literature Reference Citation | J.NAT.PROD.,70,984(2007) |
| Literature Reference DOI | 10.1021/np0700772 |
| Molecular Weight | 661.842 g/mol |
| Sample ID | 30547 |
| Solvent | CDCl3 |