| SpectraBase Compound ID | 1P9ctNJMvZf |
|---|---|
| InChI | InChI=1S/C28H48O/c1-7-28-17-22-24-12-11-23(20(4)10-8-9-19(2)3)26(24,5)15-14-25(22)27(28,6)16-13-21(28)18-29/h7,19-25,29H,1,8-18H2,2-6H3/t20-,21-,22?,23-,24+,25?,26-,27-,28-/m1/s1 |
| InChIKey | AGHXFDYKFFXPCR-UXQCYQKRSA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C28H48O |
| Exact Mass | 400.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4M1iKh31jPJ |
|---|---|
| Name | 3.beta.-(Hydroxymethyl)-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 | C28H48O |
| InChI | InChI=1S/C28H48O/c1-7-28-17-22-24-12-11-23(20(4)10-8-9-19(2)3)26(24,5)15-14-25(22)27(28,6)16-13-21(28)18-29/h7,19-25,29H,1,8-18H2,2-6H3/t20-,21-,22?,23-,24+,25?,26-,27-,28-/m1/s1 |
| InChIKey | AGHXFDYKFFXPCR-UXQCYQKRSA-N |
| Molecular Weight | 400.691 g/mol |
| SMILES | OC[C@@]1([C@@]2([C@@](C3C([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])C2)(CC1)C)C=C)[H] |
| SPLASH | splash10-014i-0009100000-d683fb52a965c9ce47cb |
| Source of Spectrum | J-64-116-34 |
| Wiley ID | 1529176 |