| SpectraBase Compound ID | Auf2QPXCPGR |
|---|---|
| InChI | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | NYOXRYYXRWJDKP-GYKMGIIDSA-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 | E54EdsMzymx |
|---|---|
| Name | Cholest-4-en-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | NYOXRYYXRWJDKP-GYKMGIIDSA-N |
| Instrument Name | Carlo Erba QMD 1000 or Fisons MD800 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np1008366 |
| Molecular Weight | 384.648 g/mol |
| SMILES | C1C[C@]2(C(=CC1=O)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])C)[H])[H])C |
| SPLASH | splash10-0596-9310000000-67c408c5ce1c92b1a50c |
| Source of Spectrum | G4-74-SM4-57 |
| Wiley ID | 1849165 |