| SpectraBase Compound ID | 5VRhBILnKyy |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h17-18,21-24,29H,6-16H2,1-5H3 |
| InChIKey | APRTUYUNMHTWBF-UHFFFAOYSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FQCCRkzr8er |
|---|---|
| Name | 25-Hydroxycholest-4-en-3-one |
| CAS Registry Number | 19897-08-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h17-18,21-24,29H,6-16H2,1-5H3 |
| InChIKey | APRTUYUNMHTWBF-UHFFFAOYSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | OC(CCCC(C1C2(C(C3C(C4(CCC(C=C4CC3)=O)C)CC2)CC1)C)C)(C)C |
| SPLASH | splash10-00ls-0049000000-8497079afb2ad4d36de6 |
| Source of Spectrum | KC-1989-468-2 |
| Synonyms | 10,13-dimethyl-17-(6-methyl-6-oxidanyl-heptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-(5-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-(6-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Cholest-4-en-25-ol-3-one |
| Wiley ID | 1369735 |