| SpectraBase Compound ID | 1XIMQJN4wvD |
|---|---|
| InChI | InChI=1S/C30H48O/c1-19(2)20-9-10-21-22-11-12-24-28(6)15-14-25(31)26(3,4)23(28)13-16-30(24,8)29(22,7)18-17-27(20,21)5/h19-20,23-24H,9-18H2,1-8H3/t20-,23?,24?,27-,28+,29-,30-/m1/s1 |
| InChIKey | XAKUWRNEOJQHNR-PZWBZFCOSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C30H48O |
| Exact Mass | 424.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LaKdV1LgLxA |
|---|---|
| Name | Neohop-13(18)-ene-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O |
| InChI | InChI=1S/C30H48O/c1-19(2)20-9-10-21-22-11-12-24-28(6)15-14-25(31)26(3,4)23(28)13-16-30(24,8)29(22,7)18-17-27(20,21)5/h19-20,23-24H,9-18H2,1-8H3/t20-,23?,24?,27-,28+,29-,30-/m1/s1 |
| InChIKey | XAKUWRNEOJQHNR-PZWBZFCOSA-N |
| Molecular Weight | 424.713 g/mol |
| SMILES | [C@]12(C(=C3CC[C@@]([C@]3(CC2)C)(C(C)C)[H])CCC2[C@]3(CCC(C(C3CC[C@@]12C)(C)C)=O)C)C |
| SPLASH | splash10-0a4i-0090300000-136a076021493c7f3bbc |
| Source of Spectrum | E1-40-1685-0 |
| Wiley ID | 1519508 |