| SpectraBase Compound ID | 6SLgKvq1E0A |
|---|---|
| InChI | InChI=1S/C27H45NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-29H,5,7-16H2,1-4H3/t17-,18-,20-,21?,22?,23?,24?,25-,26-,27+/m0/s1 |
| InChIKey | SWTXHUUBYZNDAJ-VRMLYYFKSA-N |
| Mol Weight | 399.7 g/mol |
| Molecular Formula | C27H45NO |
| Exact Mass | 399.350115 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4US1nyV86X5 |
|---|---|
| Name | Veramiline |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO |
| InChI | InChI=1S/C27H45NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-29H,5,7-16H2,1-4H3/t17-,18-,20-,21?,22?,23?,24?,25-,26-,27+/m0/s1 |
| InChIKey | SWTXHUUBYZNDAJ-VRMLYYFKSA-N |
| Molecular Weight | 399.663 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CCC3C4[C@@](C([C@@]([C@]5(NC[C@](CC5)(C)[H])[H])(C)[H])CC4)(CCC23)C)C1)C)[H] |
| SPLASH | splash10-0002-9000000000-fa923f769cc18db25e83 |
| Source of Spectrum | G4-61-1207-9 |
| Wiley ID | 1607421 |