| SpectraBase Compound ID | 9SAV7dUeJvv |
|---|---|
| InChI | InChI=1S/C27H43N/c1-19(2)9-8-10-20(3)25-14-15-26-24-13-12-22(11-6-7-18-28)21(4)23(24)16-17-27(25,26)5/h6-7,19-20,22-26H,4,8-17H2,1-3,5H3/b7-6+/t20-,22+,23-,24-,25-,26+,27-/m1/s1 |
| InChIKey | LIFOGKOLBZBCSU-JFSSVTKWSA-N |
| Mol Weight | 381.6 g/mol |
| Molecular Formula | C27H43N |
| Exact Mass | 381.33955 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HM1XwtqC9u9 |
|---|---|
| Name | 1,2-seco-2-Cyano-19-nor-5.alpha.-cholest-1(10)-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H43N |
| InChI | InChI=1S/C27H43N/c1-19(2)9-8-10-20(3)25-14-15-26-24-13-12-22(11-6-7-18-28)21(4)23(24)16-17-27(25,26)5/h6-7,19-20,22-26H,4,8-17H2,1-3,5H3/b7-6+/t20-,22+,23-,24-,25-,26+,27-/m1/s1 |
| InChIKey | LIFOGKOLBZBCSU-JFSSVTKWSA-N |
| Molecular Weight | 381.648 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@](C([C@]3(CC2)[H])=C)(C\C=C\C#N)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-069r-6097000000-3a87717c093f60c1776f |
| Source of Spectrum | KC-0-3247-40 |
| Wiley ID | 782658 |