| SpectraBase Compound ID | 8zrJtJQbnSn |
|---|---|
| InChI | InChI=1S/C61H52N5O10P/c62-60(66-61(69)75-28-29-8-2-1-3-9-29)65-59(68)51-15-14-50(64-51)58(67)63-16-17-73-18-19-74-56-52-46-26-48(44-24-40-36-20-34(38(40)22-42(44)46)30-10-4-6-12-32(30)36)54(52)57(76-77(70,71)72)55-49-27-47(53(55)56)43-23-39-35-21-37(41(39)25-45(43)49)33-13-7-5-11-31(33)35/h1-15,22-25,34-37,46-49,64H,16-21,26-28H2,(H,63,67)(H2,70,71,72)(H3,62,65,66,68,69)/t34-,35+,36+,37-,46-,47+,48+,49- |
| InChIKey | CBVRAVUGNFWIBH-QKIULJCFSA-N |
| Mol Weight | 1046.1 g/mol |
| Molecular Formula | C61H52N5O10P |
| Exact Mass | 1045.34518 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LbJT5wLdidL |
|---|---|
| Name | CBVRAVUGNFWIBH-QKIULJCFSA-N |
| Compound Number | 14A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H50N5O10P |
| InChI | InChI=1S/C61H52N5O10P/c62-60(66-61(69)75-28-29-8-2-1-3-9-29)65-59(68)51-15-14-50(64-51)58(67)63-16-17-73-18-19-74-56-52-46-26-48(44-24-40-36-20-34(38(40)22-42(44)46)30-10-4-6-12-32(30)36)54(52)57(76-77(70,71)72)55-49-27-47(53(55)56)43-23-39-35-21-37(41(39)25-45(43)49)33-13-7-5-11-31(33)35/h1-15,22-25,34-37,46-49,64H,16-21,26-28H2,(H,63,67)(H2,70,71,72)(H3,62,65,66,68,69)/t34-,35+,36+,37-,46-,47+,48+,49- |
| InChIKey | CBVRAVUGNFWIBH-QKIULJCFSA-N |
| Literature Reference Author | T.GERSTHAGEN,J.HOFMANN,F.G.KLAERNER,C.SCHMUCK,T.SCHRADER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,1080(2013) |
| Literature Reference DOI | 10.1002/ejoc.201201052 |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT20620 |