| SpectraBase Compound ID | 14QFZum4zOY |
|---|---|
| InChI | InChI=1S/C54H74N15O25P3/c1-22(2)43(70)61-52-58-40-37(46(73)64-52)55-19-67(40)34-13-28(90-49(76)25(7)8)31(87-34)16-84-95(79,80)93-97(83,86-18-33-30(92-51(78)27(11)12)15-36(89-33)69-21-57-39-42(69)60-54(66-48(39)75)63-45(72)24(5)6)94-96(81,82)85-17-32-29(91-50(77)26(9)10)14-35(88-32)68-20-56-38-41(68)59-53(65-47(38)74)62-44(71)23(3)4/h19-36H,13-18H2,1-12H3,(H,79,80)(H,81,82)(H2,58,61,64,70,73)(H2,59,62,65,71,74)(H2,60,63,66,72,75)/t28-,29-,30-,31+,32+,33+,34+,35+,36+/m0/s1 |
| InChIKey | BAILKUMNRBCNID-SMDNESKLSA-N |
| Mol Weight | 1426.2 g/mol |
| Molecular Formula | C54H74N15O25P3 |
| Exact Mass | 1425.419314 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JiGbqb399l3 |
|---|---|
| Name | PHOSPHORILATED TRINUCLEOTIDE |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C54H74N15O25P3 |
| InChI | InChI=1S/C54H74N15O25P3/c1-22(2)43(70)61-52-58-40-37(46(73)64-52)55-19-67(40)34-13-28(90-49(76)25(7)8)31(87-34)16-84-95(79,80)93-97(83,86-18-33-30(92-51(78)27(11)12)15-36(89-33)69-21-57-39-42(69)60-54(66-48(39)75)63-45(72)24(5)6)94-96(81,82)85-17-32-29(91-50(77)26(9)10)14-35(88-32)68-20-56-38-41(68)59-53(65-47(38)74)62-44(71)23(3)4/h19-36H,13-18H2,1-12H3,(H,79,80)(H,81,82)(H2,58,61,64,70,73)(H2,59,62,65,71,74)(H2,60,63,66,72,75)/t28-,29-,30-,31+,32+,33+,34+,35+,36+/m0/s1 |
| InChIKey | BAILKUMNRBCNID-SMDNESKLSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185. |
| NMR Standard | -H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | C5H5N pyridine |