| SpectraBase Compound ID | 1Fj2AjpN5Ax |
|---|---|
| InChI | InChI=1S/C26H41NO7/c1-6-27-11-24(12-31-3)8-7-17(29)26-15-9-14-16(32-4)10-25(30,18(15)20(14)34-13(2)28)19(23(26)27)21(33-5)22(24)26/h14-23,29-30H,6-12H2,1-5H3/t14-,15?,16+,17-,18?,19+,20+,21?,22-,23-,24-,25-,26+/m1/s1 |
| InChIKey | RVSYWRBZSPBTQV-CUXGAFOWSA-N |
| Mol Weight | 479.6 g/mol |
| Molecular Formula | C26H41NO7 |
| Exact Mass | 479.288303 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Bcs0bhn9Cx4 |
|---|---|
| Name | 14-Acetylneoline |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H41NO7 |
| InChI | InChI=1S/C26H41NO7/c1-6-27-11-24(12-31-3)8-7-17(29)26-15-9-14-16(32-4)10-25(30,18(15)20(14)34-13(2)28)19(23(26)27)21(33-5)22(24)26/h14-23,29-30H,6-12H2,1-5H3/t14-,15?,16+,17-,18?,19+,20+,21?,22-,23-,24-,25-,26+/m1/s1 |
| InChIKey | RVSYWRBZSPBTQV-CUXGAFOWSA-N |
| Molecular Weight | 479.614 g/mol |
| SMILES | O[C@@]1(CC[C@]2([C@]3(C([C@]4([C@]([C@@]13C1C3[C@@]4(C[C@@]([C@@](C1)([C@@]3(OC(=O)C)[H])[H])(OC)[H])O)(N(C2)CC)[H])[H])OC)[H])COC)[H] |
| SPLASH | splash10-03di-1001900000-54ad6c91b0e7ac01d0e9 |
| Source of Spectrum | CD-279-0-0 |
| Synonyms | (1beta,14alpha,16beta)-20-ethyl-1,8-dihydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitan-14-yl acetate |
| Wiley ID | 1394996 |