| SpectraBase Compound ID | AhqHlTHkJkT |
|---|---|
| InChI | InChI=1S/C18H29N2O12PS/c1-33(34,29-5-3-8-12(23)15(26)13(24)9(6-21)31-8)30-7-10-14(25)16(27)17(32-10)20-4-2-11(22)19-18(20)28/h2,4,8-10,12-17,21,23-27H,3,5-7H2,1H3,(H,19,22,28)/t8-,9-,10-,12+,13-,14-,15-,16-,17-,33?/m0/s1 |
| InChIKey | MIAFUDLXKQQACT-UZUJKTNMSA-N |
| Mol Weight | 528.47 g/mol |
| Molecular Formula | C18H29N2O12PS |
| Exact Mass | 528.117883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LHKlXtprO0V |
|---|---|
| Name | DIASTEREOMER-#1 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H29N2O12PS |
| InChI | InChI=1S/C18H29N2O12PS/c1-33(34,29-5-3-8-12(23)15(26)13(24)9(6-21)31-8)30-7-10-14(25)16(27)17(32-10)20-4-2-11(22)19-18(20)28/h2,4,8-10,12-17,21,23-27H,3,5-7H2,1H3,(H,19,22,28)/t8-,9-,10-,12+,13-,14-,15-,16-,17-,33?/m0/s1 |
| InChIKey | MIAFUDLXKQQACT-UZUJKTNMSA-N |
| Literature Reference Author | H.J.G.BROXTERMAN,P.A.KOOREMAN,H.VANDERELST,H.C.P.F.ROELEN,G. A.VANDERMAREL,J.H.VA |
| Literature Reference Citation | REC.TR.CH.P.-B.,109,583(1990) |
| Literature Reference DOI | 10.1002/recl.19901091204 |
| Molecular Weight | 528.468 g/mol |
| Solvent | D2O |
| Source File Reference | UWTS2018 |