| SpectraBase Compound ID | IzMp9tROT7G |
|---|---|
| InChI | InChI=1S/C28H44N10O13/c1-9-15(20(41)18(34-25(30)31)24(49-9)50-11-5-3-10(4-6-11)22(42)46-2)37-28(45)38-21-17(36-27(33)44)19(40)13(8-47-21)51-23-16(35-26(32)43)14(29)12(39)7-48-23/h3-6,9,12-21,23-24,39-41H,7-8,29H2,1-2H3,(H4,30,31,34)(H3,32,35,43)(H3,33,36,44)(H2,37,38,45)/t9-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21+,23+,24-/m1/s1 |
| InChIKey | GYAZCZDGDFSPAG-SNLYPYFQSA-N |
| Mol Weight | 728.7 g/mol |
| Molecular Formula | C28H44N10O13 |
| Exact Mass | 728.308932 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 76zNUyJ0b27 |
|---|---|
| Name | Spermidine fragment C28 |
| CAS Registry Number | 67005-64-5 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C28H44N10O13 |
| InChI | InChI=1S/C28H44N10O13/c1-9-15(20(41)18(34-25(30)31)24(49-9)50-11-5-3-10(4-6-11)22(42)46-2)37-28(45)38-21-17(36-27(33)44)19(40)13(8-47-21)51-23-16(35-26(32)43)14(29)12(39)7-48-23/h3-6,9,12-21,23-24,39-41H,7-8,29H2,1-2H3,(H4,30,31,34)(H3,32,35,43)(H3,33,36,44)(H2,37,38,45)/t9-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21+,23+,24-/m1/s1 |
| InChIKey | GYAZCZDGDFSPAG-SNLYPYFQSA-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 |