| SpectraBase Compound ID | E25QeStpQzd |
|---|---|
| InChI | InChI=1S/C71H83ClN8O29P4/c1-8-95-111(91,107-52-31-60(78-35-43(5)64(82)74-68(78)86)101-55(52)38-94-71(46-20-14-11-15-21-46,47-22-16-12-17-23-47)48-24-18-13-19-25-48)99-40-57-54(33-62(103-57)80-37-45(7)66(84)76-70(80)88)109-113(93,97-10-3)100-41-58-53(32-61(104-58)79-36-44(6)65(83)75-69(79)87)108-112(92,96-9-2)98-39-56-51(106-110(89,90)105-50-28-26-49(72)27-29-50)30-59(102-56)77-34-42(4)63(81)73-67(77)85/h11-29,34-37,51-62H,8-10,30-33,38-41H2,1-7H3,(H,89,90)(H,73,81,85)(H,74,82,86)(H,75,83,87)(H,76,84,88)/t51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,111?,112?,113?/m0/s1 |
| InChIKey | PFSPXCAEOFSJQO-PZYJLNMRSA-N |
| Mol Weight | 1671.8 g/mol |
| Molecular Formula | C71H83ClN8O29P4 |
| Exact Mass | 1670.390494 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6GHXiSvpyb0 |
|---|---|
| Name | TETRATHYMIDILATE |
| Comments | , 31P-{1H} |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C71H83ClN8O29P4 |
| InChI | InChI=1S/C71H83ClN8O29P4/c1-8-95-111(91,107-52-31-60(78-35-43(5)64(82)74-68(78)86)101-55(52)38-94-71(46-20-14-11-15-21-46,47-22-16-12-17-23-47)48-24-18-13-19-25-48)99-40-57-54(33-62(103-57)80-37-45(7)66(84)76-70(80)88)109-113(93,97-10-3)100-41-58-53(32-61(104-58)79-36-44(6)65(83)75-69(79)87)108-112(92,96-9-2)98-39-56-51(106-110(89,90)105-50-28-26-49(72)27-29-50)30-59(102-56)77-34-42(4)63(81)73-67(77)85/h11-29,34-37,51-62H,8-10,30-33,38-41H2,1-7H3,(H,89,90)(H,73,81,85)(H,74,82,86)(H,75,83,87)(H,76,84,88)/t51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,111?,112?,113?/m0/s1 |
| InChIKey | PFSPXCAEOFSJQO-PZYJLNMRSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | T.V.ABRAMOVA, D.G.KNORRE, A.V.LEBEDEV, N.P.PICHKO, O.S.FEDOROVA (1985)Bioorganich.Khim.(Russ. Lang.): v.11, N12, 1642-1649. |
| NMR Standard | H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |