| SpectraBase Compound ID | 6oH5dB8zNYu |
|---|---|
| InChI | InChI=1S/C27H42O2/c1-18(2)7-6-8-19(3)22-11-12-23-24-10-9-20-17-21(28)13-14-26(20,5)27(24,29)16-15-25(22,23)4/h13-14,17-19,22-24,29H,6-12,15-16H2,1-5H3/t19-,22-,23+,24+,25-,26+,27-/m1/s1 |
| InChIKey | KKRVIHYETCAQBJ-HXKRHCKOSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C27H42O2 |
| Exact Mass | 398.318481 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 36yq7OgyIKD |
|---|---|
| Name | 9.alpha.-Hydroxycholestan-1,4-dien-3-one |
| Appearance | Viscous oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.318480590 u |
| Formula | C27H42O2 |
| InChI | InChI=1S/C27H42O2/c1-18(2)7-6-8-19(3)22-11-12-23-24-10-9-20-17-21(28)13-14-26(20,5)27(24,29)16-15-25(22,23)4/h13-14,17-19,22-24,29H,6-12,15-16H2,1-5H3/t19-,22-,23+,24+,25-,26+,27-/m1/s1 |
| InChIKey | KKRVIHYETCAQBJ-HXKRHCKOSA-N |
| Instrument Name | VG analytical 70-250S |
| Ionization Type | EI |
| Literature Reference DOI | 10.3998/ark.5550190.0003.710 |
| Molecular Weight | 398.631 g/mol |
| Quality | 104 |
| Reported Formula | C27H42O2 |
| SMILES | O[C@]12[C@@](CCC=3[C@@]1(C=CC(C3)=O)C)([C@]1([C@](CC2)([C@](CC1)([C@](C)(CCCC(C)C)[H])[H])C)[H])[H] |
| SPLASH | splash10-00ea-0945000000-fc27e885221b0ffbb8af |
| Source of Spectrum | ARK-2002-88-5 (DOI: 10.3998/ark.5550190.0003.710) |
| Wiley ID | 1904765 |