| SpectraBase Compound ID | 909q0vlVkWw |
|---|---|
| InChI | InChI=1S/C60H114N4O26P4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-37-51(67)86-46(42-84-93(79,80)83-41-40-62-50(66)35-28-27-33-39-61-49(65)36-32-31-34-48-53-45(44-95-48)63-60(72)64-53)47(87-52(68)38-30-26-24-22-20-18-16-14-12-10-8-6-4-2)43-85-94(81,82)90-57-54(69)55(70)58(88-91(73,74)75)59(56(57)71)89-92(76,77)78/h45-48,53-59,69-71H,3-44H2,1-2H3,(H,61,65)(H,62,66)(H,79,80)(H,81,82)(H2,63,64,72)(H2,73,74,75)(H2,76,77,78)/p-6/t45?,46-,47-,48?,53?,54+,55-,56-,57+,58+,59+/m1/s1 |
| InChIKey | OHOWUVCYHKKAEV-WUHCIDHGSA-H |
| Mol Weight | 1457.5 g/mol |
| Molecular Formula | C60H108N4O26P4S |
| Exact Mass | 1456.592299 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7hOuqfvoD04 |
|---|---|
| Name | OHOWUVCYHKKAEV-WUHCIDHGSA-H |
| Compound Number | 12A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H108N4O26P4S |
| InChI | InChI=1S/C60H114N4O26P4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-37-51(67)86-46(42-84-93(79,80)83-41-40-62-50(66)35-28-27-33-39-61-49(65)36-32-31-34-48-53-45(44-95-48)63-60(72)64-53)47(87-52(68)38-30-26-24-22-20-18-16-14-12-10-8-6-4-2)43-85-94(81,82)90-57-54(69)55(70)58(88-91(73,74)75)59(56(57)71)89-92(76,77)78/h45-48,53-59,69-71H,3-44H2,1-2H3,(H,61,65)(H,62,66)(H,79,80)(H,81,82)(H2,63,64,72)(H2,73,74,75)(H2,76,77,78)/p-6/t45?,46-,47-,48?,53?,54+,55-,56-,57+,58+,59+/m1/s1 |
| InChIKey | OHOWUVCYHKKAEV-WUHCIDHGSA-H |
| Literature Reference Author | P.W.RZEPECKI,G.D.PRESTWICH |
| Literature Reference Citation | J.ORG.CHEM.,67,5454(2002) |
| Literature Reference DOI | 10.1021/jo011185a |
| Solvent | D2O |
| Source File Reference | UWSI21900 |