| SpectraBase Compound ID | 7BW1hFOPoDq |
|---|---|
| InChI | InChI=1S/C37H59N13O13/c1-17-23(29(53)27(45-33(39)40)32(60-17)61-19-8-5-18(6-9-19)7-10-22(51)44-14-4-13-43-12-3-2-11-38)48-36(56)50-30-26(47-35(42)55)28(52)21(16-58-30)62-31-25(46-34(41)54)24-20(15-59-31)63-37(57)49-24/h5-10,17,20-21,23-32,43,52-53H,2-4,11-16,38H2,1H3,(H,44,51)(H,49,57)(H4,39,40,45)(H3,41,46,54)(H3,42,47,55)(H2,48,50,56)/b10-7+/t17-,20-,21-,23-,24+,25-,26-,27-,28-,29-,30+,31+,32-/m1/s1 |
| InChIKey | JFKMOESWBQOEER-NDMZXNRSSA-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 | 95GTAPTgmnH |
|---|---|
| Name | Glycocinnamoyl-spermidine ll-ba 123.gamma.2 |
| CAS Registry Number | 60830-75-3 |
| Comments | SULFATE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C37H59N13O13 |
| InChI | InChI=1S/C37H59N13O13/c1-17-23(29(53)27(45-33(39)40)32(60-17)61-19-8-5-18(6-9-19)7-10-22(51)44-14-4-13-43-12-3-2-11-38)48-36(56)50-30-26(47-35(42)55)28(52)21(16-58-30)62-31-25(46-34(41)54)24-20(15-59-31)63-37(57)49-24/h5-10,17,20-21,23-32,43,52-53H,2-4,11-16,38H2,1H3,(H,44,51)(H,49,57)(H4,39,40,45)(H3,41,46,54)(H3,42,47,55)(H2,48,50,56)/b10-7+/t17-,20-,21-,23-,24+,25-,26-,27-,28-,29-,30+,31+,32-/m1/s1 |
| InChIKey | JFKMOESWBQOEER-NDMZXNRSSA-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 |