| SpectraBase Compound ID | 2fl5SadUI11 |
|---|---|
| InChI | InChI=1S/C35H52N6O8/c1-23-14-10-11-17-25(23)40-29(42)18-12-13-19-37-32(41-34(46)49-35(2,3)4)28(39-27(33(45)48-6)21-30(43)47-5)22-38-26(31(36)44)20-24-15-8-7-9-16-24/h7-11,14-17,26-28,32,37-39H,12-13,18-22H2,1-6H3,(H2,36,44)(H,40,42)(H,41,46)/t26-,27+,28-,32-/m1/s1 |
| InChIKey | GIYAYSPGHZSKOU-FFAHVWSXSA-N |
| Mol Weight | 684.8 g/mol |
| Molecular Formula | C35H52N6O8 |
| Exact Mass | 684.384663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | XU33yhwwDD |
|---|---|
| Name | GIYAYSPGHZSKOU-FFAHVWSXSA-N |
| Compound Number | (S)-3D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52N6O8 |
| InChI | InChI=1S/C35H52N6O8/c1-23-14-10-11-17-25(23)40-29(42)18-12-13-19-37-32(41-34(46)49-35(2,3)4)28(39-27(33(45)48-6)21-30(43)47-5)22-38-26(31(36)44)20-24-15-8-7-9-16-24/h7-11,14-17,26-28,32,37-39H,12-13,18-22H2,1-6H3,(H2,36,44)(H,40,42)(H,41,46)/t26-,27+,28-,32-/m1/s1 |
| InChIKey | GIYAYSPGHZSKOU-FFAHVWSXSA-N |
| Literature Reference Author | S.HERRERO,M.T.GARCIA-LOPEZ,M.LATORRE,E.CENARRUZABEITIA,J.D.R IO,R.HERRANZ |
| Literature Reference Citation | J.ORG.CHEM.,67,3866(2002) |
| Literature Reference DOI | 10.1021/jo0256336 |
| Molecular Weight | 684.833 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26052 |