| SpectraBase Compound ID | Jr9fXjqHkYF |
|---|---|
| InChI | InChI=1S/C27H36O6/c1-8-14(2)24(30)33-23-15(3)11-26-16(4)9-20-21(25(20,6)7)19(22(26)29)10-18(12-27(23,26)31)13-32-17(5)28/h8,10-11,16,19-21,23,31H,9,12-13H2,1-7H3/b14-8-/t16-,19+,20-,21+,23+,26+,27+/m1/s1 |
| InChIKey | PJYXSTZVXBADRF-SJLRKFCCSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C27H36O6 |
| Exact Mass | 456.251189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1UrSgntNTZI |
|---|---|
| Name | 5-DEOXYINGENOL-3-ANGELATE-20-ACETATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O6 |
| InChI | InChI=1S/C27H36O6/c1-8-14(2)24(30)33-23-15(3)11-26-16(4)9-20-21(25(20,6)7)19(22(26)29)10-18(12-27(23,26)31)13-32-17(5)28/h8,10-11,16,19-21,23,31H,9,12-13H2,1-7H3/b14-8-/t16-,19+,20-,21+,23+,26+,27+/m1/s1 |
| InChIKey | PJYXSTZVXBADRF-SJLRKFCCSA-N |
| Literature Reference Author | J.A.MARCO,J.F.SANZ-CERVERA,A.YUSTE |
| Literature Reference Citation | PHYTOCHEM.,45,563(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00018-6 |
| Molecular Weight | 456.579 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1454 |