| SpectraBase Compound ID | FG5qulD4xwM |
|---|---|
| InChI | InChI=1S/C39H55N3O13/c1-5-6-7-8-9-16-33(47)51-22-13-12-14-29-35(52-29)37(54-34(48)17-11-10-15-32(46)42-20-23-50-24-21-42)38(55-39(49)41-28(4)44)36-30(53-36)19-18-26(2)25-31(45)40-27(3)43/h10-12,14-15,17,25,29-30,35-38H,5-9,13,16,18-24H2,1-4H3,(H,40,43,45)(H,41,44,49)/b14-12+,15-10-,17-11-,26-25-/t29-,30+,35-,36-,37-,38+/m0/s1 |
| InChIKey | VEORCJMYYZDUCK-OFFMCQSFSA-N |
| Mol Weight | 773.9 g/mol |
| Molecular Formula | C39H55N3O13 |
| Exact Mass | 773.373489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4lu5DsC89Ih |
|---|---|
| Name | VEORCJMYYZDUCK-OFFMCQSFSA-N |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H55N3O13 |
| InChI | InChI=1S/C39H55N3O13/c1-5-6-7-8-9-16-33(47)51-22-13-12-14-29-35(52-29)37(54-34(48)17-11-10-15-32(46)42-20-23-50-24-21-42)38(55-39(49)41-28(4)44)36-30(53-36)19-18-26(2)25-31(45)40-27(3)43/h10-12,14-15,17,25,29-30,35-38H,5-9,13,16,18-24H2,1-4H3,(H,40,43,45)(H,41,44,49)/b14-12+,15-10-,17-11-,26-25-/t29-,30+,35-,36-,37-,38+/m0/s1 |
| InChIKey | VEORCJMYYZDUCK-OFFMCQSFSA-N |
| Literature Reference Author | L.G.ZAR,A.BISHARA,M.AKNIN,D.NEUMANN,N.BEN-CALIFA,Y.KASHMAN |
| Literature Reference Citation | MAR.DRUGS,11,4487(2013) |
| Literature Reference DOI | 10.3390/md11114487 |
| Molecular Weight | 773.878 g/mol |
| Source File Reference | UWBT6619 |