| SpectraBase Compound ID | 6XJjwVHR3nE |
|---|---|
| InChI | InChI=1S/C67H53N5O8/c1-32(73)79-63-60-54-29-52(48-25-44-40-23-42(46(44)27-50(48)54)38-13-7-5-11-36(38)40)58(60)62(59-53-30-55(61(59)63)51-28-47-43-24-41(45(47)26-49(51)53)37-12-6-8-14-39(37)43)77-22-21-33-15-17-35(18-16-33)72-80-65(75)57-20-19-56(69-57)64(74)70-66(68)71-67(76)78-31-34-9-3-2-4-10-34/h2-20,25-28,40-43,52-55,69,72H,21-24,29-31H2,1H3,(H3,68,70,71,74,76)/t40-,41+,42+,43-,52-,53+,54+,55- |
| InChIKey | CYLBOGBSKCEOFE-ICCUSGHQSA-N |
| Mol Weight | 1056.2 g/mol |
| Molecular Formula | C67H53N5O8 |
| Exact Mass | 1055.389414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 13OVHyGsAth |
|---|---|
| Name | CYLBOGBSKCEOFE-ICCUSGHQSA-N |
| Compound Number | 11B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H53N5O8 |
| InChI | InChI=1S/C67H53N5O8/c1-32(73)79-63-60-54-29-52(48-25-44-40-23-42(46(44)27-50(48)54)38-13-7-5-11-36(38)40)58(60)62(59-53-30-55(61(59)63)51-28-47-43-24-41(45(47)26-49(51)53)37-12-6-8-14-39(37)43)77-22-21-33-15-17-35(18-16-33)72-80-65(75)57-20-19-56(69-57)64(74)70-66(68)71-67(76)78-31-34-9-3-2-4-10-34/h2-20,25-28,40-43,52-55,69,72H,21-24,29-31H2,1H3,(H3,68,70,71,74,76)/t40-,41+,42+,43-,52-,53+,54+,55- |
| InChIKey | CYLBOGBSKCEOFE-ICCUSGHQSA-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 | 1056.187 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT20613 |