| SpectraBase Compound ID | 8ljWpdKc8Cq |
|---|---|
| InChI | InChI=1S/C22H33NO8/c1-7-13(2)19(25)31-17-9-11-23-10-8-16(18(17)23)12-29-20(26)22(28,21(5,6)27)14(3)30-15(4)24/h7-8,14,17-18,27-28H,9-12H2,1-6H3/b13-7+/t14?,17?,18-,22?/m1/s1 |
| InChIKey | LHYJPODIMQKZHJ-XMCJFIKHSA-N |
| Mol Weight | 439.5 g/mol |
| Molecular Formula | C22H33NO8 |
| Exact Mass | 439.220617 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1WPFLeuVFMJ |
|---|---|
| Name | 3-Acetyl-echimidine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H33NO8 |
| InChI | InChI=1S/C22H33NO8/c1-7-13(2)19(25)31-17-9-11-23-10-8-16(18(17)23)12-29-20(26)22(28,21(5,6)27)14(3)30-15(4)24/h7-8,14,17-18,27-28H,9-12H2,1-6H3/b13-7+/t14?,17?,18-,22?/m1/s1 |
| InChIKey | LHYJPODIMQKZHJ-XMCJFIKHSA-N |
| Molecular Weight | 439.505 g/mol |
| SMILES | OC(C(C(OCC=1[C@@]2(C(OC(\C(=C\C)C)=O)CCN2CC1)[H])=O)(C(OC(=O)C)C)O)(C)C |
| SPLASH | splash10-00e9-9750000000-3c1cda74ac830c61a401 |
| Source of Spectrum | G4-59-311-2 |
| Wiley ID | 1606200 |