| SpectraBase Compound ID | 3byEYYAA2ju |
|---|---|
| InChI | InChI=1S/C37H59N13O13/c1-17-23(29(54)26(45-33(39)40)31(61-17)62-19-8-5-18(6-9-19)7-10-22(52)44-14-4-13-43-12-3-2-11-38)47-36(57)49-30-25(46-34(41)55)28(53)21(16-59-30)63-32-27-24(20(51)15-60-32)48-37(58)50(27)35(42)56/h5-10,17,20-21,23-32,43,51,53-54H,2-4,11-16,38H2,1H3,(H2,42,56)(H,44,52)(H,48,58)(H4,39,40,45)(H3,41,46,55)(H2,47,49,57)/b10-7+/t17-,20-,21-,23-,24+,25-,26-,27-,28-,29-,30+,31-,32+/m1/s1 |
| InChIKey | DNVZVPOGAWMZMI-HAPHVHHFSA-N |
| Mol Weight | 894.0 g/mol |
| Molecular Formula | C37H59N13O13 |
| Exact Mass | 893.435529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tSRNGGMZ2F |
|---|---|
| Name | Glycocinnamoyl-spermidine |
| CAS Registry Number | 60830-76-4 |
| Comments | SULFATE |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C37H59N13O13 |
| InChI | InChI=1S/C37H59N13O13/c1-17-23(29(54)26(45-33(39)40)31(61-17)62-19-8-5-18(6-9-19)7-10-22(52)44-14-4-13-43-12-3-2-11-38)47-36(57)49-30-25(46-34(41)55)28(53)21(16-59-30)63-32-27-24(20(51)15-60-32)48-37(58)50(27)35(42)56/h5-10,17,20-21,23-32,43,51,53-54H,2-4,11-16,38H2,1H3,(H2,42,56)(H,44,52)(H,48,58)(H4,39,40,45)(H3,41,46,55)(H2,47,49,57)/b10-7+/t17-,20-,21-,23-,24+,25-,26-,27-,28-,29-,30+,31-,32+/m1/s1 |
| InChIKey | DNVZVPOGAWMZMI-HAPHVHHFSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | G.A. Ellestad, D.B. Cosulich, R. Broschard, J. Am. Chem. Soc. 100, 2515 (1978). |
| NMR Standard | Dioxane |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |