| SpectraBase Compound ID | CqP3Smp4aZS |
|---|---|
| InChI | InChI=1S/C53H49NO6/c1-25(55)59-51-48-44-23-42(38-19-34-30-17-32(36(34)21-40(38)44)28-11-7-5-9-26(28)30)46(48)50(58-16-15-57-14-13-54-52(56)60-53(2,3)4)47-43-24-45(49(47)51)41-22-37-33-18-31(35(37)20-39(41)43)27-10-6-8-12-29(27)33/h5-12,19-22,30-33,42-45H,13-18,23-24H2,1-4H3,(H,54,56)/t30-,31+,32+,33-,42-,43+,44+,45- |
| InChIKey | OZAWTWYENICFFN-DLNJTBPYSA-N |
| Mol Weight | 796.0 g/mol |
| Molecular Formula | C53H49NO6 |
| Exact Mass | 795.355988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5D2zzor49uT |
|---|---|
| Name | OZAWTWYENICFFN-DLNJTBPYSA-N |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H49NO6 |
| InChI | InChI=1S/C53H49NO6/c1-25(55)59-51-48-44-23-42(38-19-34-30-17-32(36(34)21-40(38)44)28-11-7-5-9-26(28)30)46(48)50(58-16-15-57-14-13-54-52(56)60-53(2,3)4)47-43-24-45(49(47)51)41-22-37-33-18-31(35(37)20-39(41)43)27-10-6-8-12-29(27)33/h5-12,19-22,30-33,42-45H,13-18,23-24H2,1-4H3,(H,54,56)/t30-,31+,32+,33-,42-,43+,44+,45- |
| InChIKey | OZAWTWYENICFFN-DLNJTBPYSA-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 | 795.975 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT20603 |