| SpectraBase Compound ID | 75uXzhQGrjy |
|---|---|
| InChI | InChI=1S/C68H74N12O33P4/c1-99-41-13-5-37(6-14-41)61(83)69-53-21-25-77(65(87)73-53)57-29-45(81)49(107-57)33-103-114(91,92)111-47-31-59(79-27-23-55(75-67(79)89)71-63(85)39-9-17-43(101-3)18-10-39)109-51(47)35-105-116(95,96)113-117(97,98)106-36-52-48(32-60(110-52)80-28-24-56(76-68(80)90)72-64(86)40-11-19-44(102-4)20-12-40)112-115(93,94)104-34-50-46(82)30-58(108-50)78-26-22-54(74-66(78)88)70-62(84)38-7-15-42(100-2)16-8-38/h5-28,45-52,57-60,81-82H,29-36H2,1-4H3,(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,69,73,83,87)(H,70,74,84,88)(H,71,75,85,89)(H,72,76,86,90)/t45-,46-,47-,48-,49+,50+,51+,52+,57+,58+,59+,60+/m0/s1 |
| InChIKey | HOCDSYGFOQEQRB-IKCMYSHCSA-N |
| Mol Weight | 1711.3 g/mol |
| Molecular Formula | C68H74N12O33P4 |
| Exact Mass | 1710.343171 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZHjV04La6y |
|---|---|
| Name | TETRANUCLEOTIDE PHOSPHORYLATED |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C68H74N12O33P4 |
| InChI | InChI=1S/C68H74N12O33P4/c1-99-41-13-5-37(6-14-41)61(83)69-53-21-25-77(65(87)73-53)57-29-45(81)49(107-57)33-103-114(91,92)111-47-31-59(79-27-23-55(75-67(79)89)71-63(85)39-9-17-43(101-3)18-10-39)109-51(47)35-105-116(95,96)113-117(97,98)106-36-52-48(32-60(110-52)80-28-24-56(76-68(80)90)72-64(86)40-11-19-44(102-4)20-12-40)112-115(93,94)104-34-50-46(82)30-58(108-50)78-26-22-54(74-66(78)88)70-62(84)38-7-15-42(100-2)16-8-38/h5-28,45-52,57-60,81-82H,29-36H2,1-4H3,(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,69,73,83,87)(H,70,74,84,88)(H,71,75,85,89)(H,72,76,86,90)/t45-,46-,47-,48-,49+,50+,51+,52+,57+,58+,59+,60+/m0/s1 |
| InChIKey | HOCDSYGFOQEQRB-IKCMYSHCSA-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 |