| SpectraBase Compound ID | 8httxrW1JKE |
|---|---|
| InChI | InChI=1S/C17H26N3O14PS.Na/c21-3-6-10(24)12(26)13(27)15(33-6)18-9(23)5-36-35(30,31)32-4-7-11(25)14(28)16(34-7)20-2-1-8(22)19-17(20)29;/h1-2,6-7,10-16,21,24-28H,3-5H2,(H,18,23)(H,30,31)(H,19,22,29);/q;+1/p-1/t6-,7+,10-,11+,12+,13-,14+,15+,16+;/m0./s1 |
| InChIKey | WKOKRFFLGSJUQL-HBGRCCDMSA-M |
| Mol Weight | 581.42 g/mol |
| Molecular Formula | C17H25N3NaO14PS |
| Exact Mass | 581.069255 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21PY4SYE67U |
|---|---|
| Name | MAJOR |
| Compound Number | (ALPHA)-SODIUM-SALT-OF-#6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H25N3NaO14PS |
| InChI | InChI=1S/C17H26N3O14PS.Na/c21-3-6-10(24)12(26)13(27)15(33-6)18-9(23)5-36-35(30,31)32-4-7-11(25)14(28)16(34-7)20-2-1-8(22)19-17(20)29;/h1-2,6-7,10-16,21,24-28H,3-5H2,(H,18,23)(H,30,31)(H,19,22,29);/q;+1/p-1/t6-,7+,10-,11+,12+,13-,14+,15+,16+;/m0./s1 |
| InChIKey | WKOKRFFLGSJUQL-HBGRCCDMSA-M |
| Literature Reference Author | M.TRMCIC,D.R.W.HODGSON |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,6,732(2010) |
| Literature Reference DOI | 10.3762/bjoc.6.87 |
| Molecular Weight | 581.421 g/mol |
| Solvent | D2O |
| Source File Reference | UWBT10328 |