| SpectraBase Compound ID | IWikFiTELwQ |
|---|---|
| InChI | InChI=1S/C27H41NO7/c1-6-28-12-25(13-32-4)8-7-21(34-14(2)29)27-17-9-16-19(33-5)11-26(31,18(24(27)28)10-20(25)27)22(17)23(16)35-15(3)30/h16-24,31H,6-13H2,1-5H3/t16-,17?,18-,19?,20+,21?,22+,23?,24+,25-,26+,27+/m1/s1 |
| InChIKey | BZQKPKLKOSTBMK-QLBHNEDUSA-N |
| Mol Weight | 491.6 g/mol |
| Molecular Formula | C27H41NO7 |
| Exact Mass | 491.288303 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1YiURoHnk2W |
|---|---|
| Name | Monoacetylcondelphine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H41NO7 |
| InChI | InChI=1S/C27H41NO7/c1-6-28-12-25(13-32-4)8-7-21(34-14(2)29)27-17-9-16-19(33-5)11-26(31,18(24(27)28)10-20(25)27)22(17)23(16)35-15(3)30/h16-24,31H,6-13H2,1-5H3/t16-,17?,18-,19?,20+,21?,22+,23?,24+,25-,26+,27+/m1/s1 |
| InChIKey | BZQKPKLKOSTBMK-QLBHNEDUSA-N |
| Molecular Weight | 491.625 g/mol |
| SMILES | O[C@]12[C@]3(C([C@@]45[C@@]6([C@]1(C[C@]5([C@](CN6CC)(COC)CCC4OC(=O)C)[H])[H])[H])C[C@](C(OC)C2)(C3OC(=O)C)[H])[H] |
| SPLASH | splash10-001i-6410900000-5c5854e6bba19e0f6a95 |
| Source of Spectrum | CD-279-0-0 |
| Synonyms | 1-(acetyloxy)-20-ethyl-8-hydroxy-16-methoxy-4-(methoxymethyl)aconitan-14-yl acetate |
| Wiley ID | 1397411 |