| SpectraBase Spectrum ID |
2l7ykqu74F6 |
| Name |
Cholest-4-en-3-one |
| CAS Registry Number |
601-57-0 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
384.339216036 u |
| 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+/m0/s1 |
| InChIKey |
NYOXRYYXRWJDKP-SHLKSLFASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
384.648 g/mol |
| Nominal Mass |
384 u |
| Quality |
936 |
| Retention Index |
2888 |
| SMILES |
[C@]12([C@]3([C@@]([C@@]4(C(CC3)=CC(CC4)=O)C)(CC[C@@]2([C@](CC1)(C(CCCC(C)C)C)[H])C)[H])[H])[H] |
| SPLASH |
splash10-05i3-6920000000-92eeb0ec9912cc62a352 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-((2S)-6-methylheptan-2-yl)-1,2,3,3a,3b,4,5,8,9,9a\r,9b,10,11,11a-tetradecahydro-7H-cyclopenta[a]phenanthren-7-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025675 |
