| SpectraBase Compound ID | 9QNFFYBAxRh |
|---|---|
| InChI | InChI=1S/C29H47NO2/c1-18-6-11-27(30(17-18)20(3)31)19(2)24-9-10-25-23-8-7-21-16-22(32)12-14-28(21,4)26(23)13-15-29(24,25)5/h18-19,21,23-27H,6-17H2,1-5H3/t18-,19?,21+,23?,24?,25?,26?,27?,28?,29?/m1/s1 |
| InChIKey | PEYSCZNUFMMSHO-SNUHMDRVSA-N |
| Mol Weight | 441.7 g/mol |
| Molecular Formula | C29H47NO2 |
| Exact Mass | 441.36068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2PTlbrfBgDz |
|---|---|
| Name | 22,26-Acetyl=epimino-5.alpha.-cholestan-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H47NO2 |
| InChI | InChI=1S/C29H47NO2/c1-18-6-11-27(30(17-18)20(3)31)19(2)24-9-10-25-23-8-7-21-16-22(32)12-14-28(21,4)26(23)13-15-29(24,25)5/h18-19,21,23-27H,6-17H2,1-5H3/t18-,19?,21+,23?,24?,25?,26?,27?,28?,29?/m1/s1 |
| InChIKey | PEYSCZNUFMMSHO-SNUHMDRVSA-N |
| Molecular Weight | 441.700 g/mol |
| SMILES | C1(N(C[C@@](CC1)(C)[H])C(=O)C)C(C1C2(C(C3CC[C@@]4(C(C3CC2)(CCC(=O)C4)C)[H])CC1)C)C |
| SPLASH | splash10-0006-0900000000-25d6634c2874e123b55d |
| Source of Spectrum | X2-50-645-4 |
| Wiley ID | 1602285 |