| SpectraBase Compound ID | 1yFt160S2Kd |
|---|---|
| InChI | InChI=1S/C27H44O/c1-18(2)8-6-9-19(3)22-14-15-23-21-13-12-20-10-7-11-25(28)27(20,5)24(21)16-17-26(22,23)4/h12,18-19,21-24H,6-11,13-17H2,1-5H3/t19-,21+,22-,23+,24+,26-,27+/m1/s1 |
| InChIKey | NVXYLAZZKNNQHW-GBISZCEDSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339216 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6U9UeKXGf76 |
|---|---|
| Name | Cholest-5-en-1-one |
| CAS Registry Number | 87068-12-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-18(2)8-6-9-19(3)22-14-15-23-21-13-12-20-10-7-11-25(28)27(20,5)24(21)16-17-26(22,23)4/h12,18-19,21-24H,6-11,13-17H2,1-5H3/t19-,21+,22-,23+,24+,26-,27+/m1/s1 |
| InChIKey | NVXYLAZZKNNQHW-GBISZCEDSA-N |
| Molecular Weight | 384.648 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(C(=O)CCC4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-00e9-0549000000-7a04058a1a7c33ac480e |
| Source of Spectrum | J-48-3743-0 |
| Wiley ID | 1361973 |