| SpectraBase Compound ID | 1luVs1Rj9YF |
|---|---|
| InChI | InChI=1S/C29H41NO4/c1-15-12-23-26(30-14-15)17(3)29(34-23)11-9-21-22-7-6-19-13-20(33-18(4)31)8-10-28(19,5)25(22)27(32)24(21)16(29)2/h6,15,17,20-23,25-26,30H,7-14H2,1-5H3/t15-,17+,20-,21?,22?,23+,25?,26-,28-,29-/m0/s1 |
| InChIKey | UQVIFHXKIPQADQ-FQTPELKSSA-N |
| Mol Weight | 467.7 g/mol |
| Molecular Formula | C29H41NO4 |
| Exact Mass | 467.303559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FjP4yKKa9Mf |
|---|---|
| Name | O-acetyl-jervine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H41NO4 |
| InChI | InChI=1S/C29H41NO4/c1-15-12-23-26(30-14-15)17(3)29(34-23)11-9-21-22-7-6-19-13-20(33-18(4)31)8-10-28(19,5)25(22)27(32)24(21)16(29)2/h6,15,17,20-23,25-26,30H,7-14H2,1-5H3/t15-,17+,20-,21?,22?,23+,25?,26-,28-,29-/m0/s1 |
| InChIKey | UQVIFHXKIPQADQ-FQTPELKSSA-N |
| Molecular Weight | 467.650 g/mol |
| SMILES | N1C[C@](C[C@]2(O[C@]3([C@@]([C@]12[H])(C)[H])C(=C1C(C2[C@@]4(C(C[C@@](OC(=O)C)(CC4)[H])=CCC2C1CC3)C)=O)C)[H])(C)[H] |
| SPLASH | splash10-03fr-0900200000-825252c385028de23295 |
| Source of Spectrum | X3-35-125-k |
| Wiley ID | 1691783 |