| SpectraBase Compound ID | Com6G4nrSwQ |
|---|---|
| InChI | InChI=1S/C41H41N5O4/c1-26(39(47)50-41(2,3)4)46-37(22-27-14-6-5-7-15-27)44-45-38(46)36(23-28-24-42-35-21-13-12-16-29(28)35)43-40(48)49-25-34-32-19-10-8-17-30(32)31-18-9-11-20-33(31)34/h5-21,24,26,34,36,42H,22-23,25H2,1-4H3,(H,43,48)/t26?,36-/m1/s1 |
| InChIKey | ICNZAPUPKNNEAO-SLOOROQESA-N |
| Mol Weight | 667.8 g/mol |
| Molecular Formula | C41H41N5O4 |
| Exact Mass | 667.315855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXJrplhsDlY |
|---|---|
| Name | ICNZAPUPKNNEAO-SLOOROQESA-N |
| Compound Number | 3E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H41N5O4 |
| InChI | InChI=1S/C41H41N5O4/c1-26(39(47)50-41(2,3)4)46-37(22-27-14-6-5-7-15-27)44-45-38(46)36(23-28-24-42-35-21-13-12-16-29(28)35)43-40(48)49-25-34-32-19-10-8-17-30(32)31-18-9-11-20-33(31)34/h5-21,24,26,34,36,42H,22-23,25H2,1-4H3,(H,43,48)/t26?,36-/m1/s1 |
| InChIKey | ICNZAPUPKNNEAO-SLOOROQESA-N |
| Literature Reference Author | D.BOEGLIN,S.CANTEL,A.HEITZ,J.MARTINEZ,J.A.FEHRENTZ |
| Literature Reference Citation | ORG.LETTERS,5,4465(2003) |
| Literature Reference DOI | 10.1021/ol035778e |
| Molecular Weight | 667.808 g/mol |
| Sample ID | 38767 |
| Solvent | DMSO-D6 |