| SpectraBase Compound ID | 3GzMAp348BR |
|---|---|
| InChI | InChI=1S/C23H30O7/c1-10-7-15(28-6)21(27)23(5)13(10)8-16-22(4)14(9-17(25)30-16)11(2)18(26)19(20(22)23)29-12(3)24/h7,10-11,13-14,16,19-20H,8-9H2,1-6H3/t10-,11-,13+,14+,16-,19-,20+,22-,23+/m1/s1 |
| InChIKey | CKDWRWJBBHJXCH-QJYZNWFDSA-N |
| Mol Weight | 418.49 g/mol |
| Molecular Formula | C23H30O7 |
| Exact Mass | 418.199153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5VfdDrh5w1P |
|---|---|
| Name | 11-ALPHA-ACETYLPARAIN |
| CAS Registry Number | 36149-90-3 |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H30O7 |
| InChI | InChI=1S/C23H30O7/c1-10-7-15(28-6)21(27)23(5)13(10)8-16-22(4)14(9-17(25)30-16)11(2)18(26)19(20(22)23)29-12(3)24/h7,10-11,13-14,16,19-20H,8-9H2,1-6H3/t10-,11-,13+,14+,16-,19-,20+,22-,23+/m1/s1 |
| InChIKey | CKDWRWJBBHJXCH-QJYZNWFDSA-N |
| Literature Reference Author | P.BARBETTI,G.GRANDOLINI,G.FARDELLA,I.CHIAPPINI |
| Literature Reference Citation | PHYTOCHEM.,32,1007(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85245-M |
| Molecular Weight | 418.487 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU6308 |