| SpectraBase Compound ID | 58jewZX9ke0 |
|---|---|
| InChI | InChI=1S/C48H44NO6P.C2HF3O2/c1-51-56(50,52-2)55-48-45-41-21-39(35-17-31-27-15-29(33(31)19-37(35)41)25-9-5-3-7-23(25)27)43(45)47(54-14-13-53-12-11-49)44-40-22-42(46(44)48)38-20-34-30-16-28(32(34)18-36(38)40)24-8-4-6-10-26(24)30;3-2(4,5)1(6)7/h3-10,17-20,27-30,39-42H,11-16,21-22,49H2,1-2H3;(H,6,7)/t27-,28+,29+,30-,39-,40+,41+,42-; |
| InChIKey | INCQVZCISGVDNJ-ALRXWVQYSA-N |
| Mol Weight | 875.9 g/mol |
| Molecular Formula | C50H45F3NO8P |
| Exact Mass | 875.283489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C4D0OBezYJx |
|---|---|
| Name | INCQVZCISGVDNJ-ALRXWVQYSA-N |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H45F3NO8P |
| InChI | InChI=1S/C48H44NO6P.C2HF3O2/c1-51-56(50,52-2)55-48-45-41-21-39(35-17-31-27-15-29(33(31)19-37(35)41)25-9-5-3-7-23(25)27)43(45)47(54-14-13-53-12-11-49)44-40-22-42(46(44)48)38-20-34-30-16-28(32(34)18-36(38)40)24-8-4-6-10-26(24)30;3-2(4,5)1(6)7/h3-10,17-20,27-30,39-42H,11-16,21-22,49H2,1-2H3;(H,6,7)/t27-,28+,29+,30-,39-,40+,41+,42-; |
| InChIKey | INCQVZCISGVDNJ-ALRXWVQYSA-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 |
| Molecular Weight | 875.878 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT20616 |