| SpectraBase Compound ID | bmv1ngUc94 |
|---|---|
| InChI | InChI=1S/C18H28N5O13P/c19-18-21-15-9(16(30)22-18)20-5-23(15)17-14(29)12(27)8(36-17)4-34-37(31,32)33-2-1-6-10(25)13(28)11(26)7(3-24)35-6/h5-8,10-14,17,24-29H,1-4H2,(H,31,32)(H3,19,21,22,30)/t6-,7-,8+,10-,11-,12+,13-,14+,17+/m1/s1 |
| InChIKey | PGJQBENIZNAGLR-VGFMBPFFSA-N |
| Mol Weight | 553.42 g/mol |
| Molecular Formula | C18H28N5O13P |
| Exact Mass | 553.142123 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMtUdUJogAp |
|---|---|
| Name | PGJQBENIZNAGLR-VGFMBPFFSA-N |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H27N5O13P |
| InChI | InChI=1S/C18H28N5O13P/c19-18-21-15-9(16(30)22-18)20-5-23(15)17-14(29)12(27)8(36-17)4-34-37(31,32)33-2-1-6-10(25)13(28)11(26)7(3-24)35-6/h5-8,10-14,17,24-29H,1-4H2,(H,31,32)(H3,19,21,22,30)/t6-,7-,8+,10-,11-,12+,13-,14+,17+/m1/s1 |
| InChIKey | PGJQBENIZNAGLR-VGFMBPFFSA-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 | 552.412 g/mol |
| Solvent | D2O |
| Source File Reference | UWTS2029 |