![[3-(13)-C1]-(METHYLENECYCLOPROPYL)-FORMYL-COA](/api/spectrum/61ctLwVklx6/structure.png?h=300&w=458 "[3-(13)-C1]-(METHYLENECYCLOPROPYL)-FORMYL-COA")
| SpectraBase Compound ID | HJpbH8r4zn5 |
|---|---|
| InChI | InChI=1S/C26H40N7O17P3S/c1-13-8-14(13)25(38)54-7-6-28-16(34)4-5-29-23(37)20(36)26(2,3)10-47-53(44,45)50-52(42,43)46-9-15-19(49-51(39,40)41)18(35)24(48-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,14-15,18-20,24,35-36H,1,4-10H2,2-3H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14?,15-,18-,19-,20-,24-/m1/s1/i8+1 |
| InChIKey | HGUPMGXQINVJJW-DRPDXJRSSA-N |
| Mol Weight | 848.6 g/mol |
| Molecular Formula | C2513CH40N7O17P3S |
| Exact Mass | 848.14478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61ctLwVklx6 |
|---|---|
| Name | [3-(13)-C1]-(METHYLENECYCLOPROPYL)-FORMYL-COA |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H36N7O17P3S |
| InChI | InChI=1S/C26H40N7O17P3S/c1-13-8-14(13)25(38)54-7-6-28-16(34)4-5-29-23(37)20(36)26(2,3)10-47-53(44,45)50-52(42,43)46-9-15-19(49-51(39,40)41)18(35)24(48-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,14-15,18-20,24,35-36H,1,4-10H2,2-3H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14?,15-,18-,19-,20-,24-/m1/s1/i8+1 |
| InChIKey | HGUPMGXQINVJJW-DRPDXJRSSA-N |
| Literature Reference Author | S.DAKOJI,D.LI,G.AGNIHOTRI,H.ZHOU,H.LIU |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,9749(2001) |
| Literature Reference DOI | 10.1021/ja011226k |
| Molecular Weight | 843.590 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN29856 |