| SpectraBase Compound ID | K17F0iQ1KAe |
|---|---|
| InChI | InChI=1S/C60H78N12O4P6S6/c1-57(2,3)69-79(85)70(58(4,5)6)80(69,86)74-52-32-24-28-48(40-52)44-62-66(14)78(84,56-37-21-18-22-38-56)68(16)64-46-50-30-26-34-54(42-50)76-82(88)71(59(7,8)9)81(87,72(82)60(10,11)12)75-53-33-25-29-49(41-53)45-63-67(15)77(83,55-35-19-17-20-36-55)65(13)61-43-47-27-23-31-51(39-47)73-79/h17-46H,1-16H3/b61-43+,62-44+,63-45+,64-46+ |
| InChIKey | JKDHIZNLMLEODB-HGICOLBSSA-N |
| Mol Weight | 1409.6 g/mol |
| Molecular Formula | C60H78N12O4P6S6 |
| Exact Mass | 1408.301898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Koskrb7rZtn |
|---|---|
| Name | JKDHIZNLMLEODB-HGICOLBSSA-N |
| CAS Registry Number | 137918-49-1 |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H78N12O4P6S6 |
| InChI | InChI=1S/C60H78N12O4P6S6/c1-57(2,3)69-79(85)70(58(4,5)6)80(69,86)74-52-32-24-28-48(40-52)44-62-66(14)78(84,56-37-21-18-22-38-56)68(16)64-46-50-30-26-34-54(42-50)76-82(88)71(59(7,8)9)81(87,72(82)60(10,11)12)75-53-33-25-29-49(41-53)45-63-67(15)77(83,55-35-19-17-20-36-55)65(13)61-43-47-27-23-31-51(39-47)73-79/h17-46H,1-16H3/b61-43+,62-44+,63-45+,64-46+ |
| InChIKey | JKDHIZNLMLEODB-HGICOLBSSA-N |
| Literature Reference Author | F.GONCE,A.M.CAMINADE,F.BOUTONNET,J.P.MAJORAL |
| Literature Reference Citation | J.ORG.CHEM.,57,970(1992) |
| Literature Reference DOI | 10.1021/jo00029a034 |
| Molecular Weight | 1409.560 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4376 |