| SpectraBase Compound ID | F2x4Z2Fyx8F |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,4)25(21)24(29)16-27(22,23)5/h17-19,21-23,25H,6-16H2,1-5H3 |
| InChIKey | MCEHNLSYTUWKAL-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 | 2gUrMoEVssn |
|---|---|
| Name | Cholestane-3,11-dione |
| CAS Registry Number | 69454-69-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,4)25(21)24(29)16-27(22,23)5/h17-19,21-23,25H,6-16H2,1-5H3 |
| InChIKey | MCEHNLSYTUWKAL-UHFFFAOYSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | C1(CCC2(C(C1)CCC1C2C(CC2(C1CCC2C(CCCC(C)C)C)C)=O)C)=O |
| SPLASH | splash10-0f7c-0492500000-e32b9e47512181ef513e |
| Source of Spectrum | J-44-1869-0 |
| Synonyms | Cholestane-3,11-dione, (5.alpha.,8.alpha.,14.beta.)- Cholestane-3,11-dione, (5.alpha.,14.beta.)- 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-quinone 5.alpha.,14.beta.-Cholestane-3,11-dione 5.alpha.,8.alpha.,14.beta.-Cholestane-3,11-dione |
| Wiley ID | 1369700 |