| SpectraBase Compound ID | Ha8MRR1xOqi |
|---|---|
| InChI | InChI=1S/C27H43NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h6,8,11,19,21-25H,7,9-10,12-16,18H2,1-5H3,(H,29,30)/b8-6-,20-11-/t21-,22-,23-,24-,25+,27-/m1/s1 |
| InChIKey | LCJOGGZGFJJACV-RIFYSBLJSA-N |
| Mol Weight | 413.6 g/mol |
| Molecular Formula | C27H43NO2 |
| Exact Mass | 413.32938 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JflZf9VDQp9 |
|---|---|
| Name | (1,10Z)-5,6-Seco-4-cyano-1(10}-cholesten-6-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H43NO2 |
| InChI | InChI=1S/C27H43NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h6,8,11,19,21-25H,7,9-10,12-16,18H2,1-5H3,(H,29,30)/b8-6-,20-11-/t21-,22-,23-,24-,25+,27-/m1/s1 |
| InChIKey | LCJOGGZGFJJACV-RIFYSBLJSA-N |
| Molecular Weight | 413.646 g/mol |
| SMILES | OC(C[C@]1([C@]2([C@@]([C@](CC2)([C@@](CCCC(C)C)(C)[H])[H])(CC[C@@]1(\C(=C/C\C=C/C#N)C)[H])C)[H])[H])=O |
| SPLASH | splash10-0006-9014100000-530113006779858c02b7 |
| Source of Spectrum | F2-44-844-11 |
| Wiley ID | 1639146 |