| SpectraBase Compound ID | LFcjhCuKzXa |
|---|---|
| InChI | InChI=1S/C28H48/c1-8-28-18-22-24-13-12-23(20(4)11-9-10-19(2)3)26(24,6)16-15-25(22)27(28,7)17-14-21(28)5/h8,19-25H,1,9-18H2,2-7H3/t20-,21+,22?,23-,24+,25?,26-,27-,28-/m1/s1 |
| InChIKey | CDZUJRXRHYDGIK-KAWYMMQHSA-N |
| Mol Weight | 384.7 g/mol |
| Molecular Formula | C28H48 |
| Exact Mass | 384.375602 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9VW738IOjJ3 |
|---|---|
| Name | 3.beta.-Methyl-5-vinyl-A,B-bisnor-5.beta.-cholestane |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48 |
| InChI | InChI=1S/C28H48/c1-8-28-18-22-24-13-12-23(20(4)11-9-10-19(2)3)26(24,6)16-15-25(22)27(28,7)17-14-21(28)5/h8,19-25H,1,9-18H2,2-7H3/t20-,21+,22?,23-,24+,25?,26-,27-,28-/m1/s1 |
| InChIKey | CDZUJRXRHYDGIK-KAWYMMQHSA-N |
| Molecular Weight | 384.692 g/mol |
| SMILES | [C@]12([C@@](CC3C2CC[C@@]2([C@]([C@@](CCCC(C)C)(C)[H])([H])CC[C@@]32[H])C)(C=C)[C@@](C)(CC1)[H])C |
| SPLASH | splash10-0159-0009000000-9058a449271eb846f5fe |
| Source of Spectrum | J-64-116-33 |
| Wiley ID | 1529177 |