| SpectraBase Compound ID | IWaszrY4W7O |
|---|---|
| InChI | InChI=1S/C36H61N13O12/c1-17-24(48-36(56)49-30-26(47-35(42)55)28(52)21(16-57-30)61-31-25(46-34(41)54)23(38)20(50)15-58-31)29(53)27(45-33(39)40)32(59-17)60-19-8-5-18(6-9-19)7-10-22(51)44-14-4-13-43-12-3-2-11-37/h5-10,17,20-21,23-32,43,50,52-53H,2-4,11-16,37-38H2,1H3,(H,44,51)(H4,39,40,45)(H3,41,46,54)(H3,42,47,55)(H2,48,49,56)/b10-7+/t17-,20-,21-,23+,24-,25-,26-,27-,28-,29-,30+,31+,32-/m1/s1 |
| InChIKey | YYZIXLHNGARYMJ-KZWFLEIRSA-N |
| Mol Weight | 868.0 g/mol |
| Molecular Formula | C36H61N13O12 |
| Exact Mass | 867.456264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DgnkgwXqQsE |
|---|---|
| Name | Glycocinnamoyl-spermidine ll-bm 123.beta. |
| CAS Registry Number | 62251-27-8 |
| Comments | SULFATE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H61N13O12 |
| InChI | InChI=1S/C36H61N13O12/c1-17-24(48-36(56)49-30-26(47-35(42)55)28(52)21(16-57-30)61-31-25(46-34(41)54)23(38)20(50)15-58-31)29(53)27(45-33(39)40)32(59-17)60-19-8-5-18(6-9-19)7-10-22(51)44-14-4-13-43-12-3-2-11-37/h5-10,17,20-21,23-32,43,50,52-53H,2-4,11-16,37-38H2,1H3,(H,44,51)(H4,39,40,45)(H3,41,46,54)(H3,42,47,55)(H2,48,49,56)/b10-7+/t17-,20-,21-,23+,24-,25-,26-,27-,28-,29-,30+,31+,32-/m1/s1 |
| InChIKey | YYZIXLHNGARYMJ-KZWFLEIRSA-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 |