| SpectraBase Compound ID | B7a9lcfyoIj |
|---|---|
| InChI | InChI=1S/C28H39N9O7/c1-14(2)23-27(44)35-18(8-5-9-31-28(29)30)24(41)33-13-21(38)34-20(11-22(39)40)25(42)36-19(26(43)37-23)10-15-12-32-17-7-4-3-6-16(15)17/h3-4,6-7,12,14,18-20,23,32H,5,8-11,13H2,1-2H3,(H,33,41)(H,34,38)(H,35,44)(H,36,42)(H,37,43)(H,39,40)(H4,29,30,31) |
| InChIKey | SFCYQXKSWPPSIX-UHFFFAOYSA-N |
| Mol Weight | 613.7 g/mol |
| Molecular Formula | C28H39N9O7 |
| Exact Mass | 613.297245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5XGQ3P5cx9R |
|---|---|
| Name | C-(RGDWV) |
| Compound Number | P-18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H39N9O7 |
| InChI | InChI=1S/C28H39N9O7/c1-14(2)23-27(44)35-18(8-5-9-31-28(29)30)24(41)33-13-21(38)34-20(11-22(39)40)25(42)36-19(26(43)37-23)10-15-12-32-17-7-4-3-6-16(15)17/h3-4,6-7,12,14,18-20,23,32H,5,8-11,13H2,1-2H3,(H,33,41)(H,34,38)(H,35,44)(H,36,42)(H,37,43)(H,39,40)(H4,29,30,31) |
| InChIKey | SFCYQXKSWPPSIX-UHFFFAOYSA-N |
| Literature Reference Author | R.HAUBNER,R.GRATIAS,B.DIEFENBACH,S.L.GOODMAN,A.JONCZYK,H.KES SLER |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,7461(1996) |
| Literature Reference DOI | 10.1021/ja9603721 |
| Molecular Weight | 613.674 g/mol |
| Sample ID | 36079 |
| Solvent | DMSO-D6 |