| SpectraBase Compound ID | HkiGREYYQHX |
|---|---|
| InChI | InChI=1S/C26H44O2/c1-18(2)8-6-9-20(4)23-12-13-24-22-11-14-25(27)28-17-7-10-19(3)21(22)15-16-26(23,24)5/h10,18,20-24H,6-9,11-17H2,1-5H3/b19-10-/t20-,21-,22-,23-,24+,26-/m1/s1 |
| InChIKey | JBDLGHAFHOQHEA-YIESADSKSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C26H44O2 |
| Exact Mass | 388.334131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4Uvj1WNTKtS |
|---|---|
| Name | 4-Oxa-5,10-secocholest-1(10)-en-5-one, (1Z)- |
| CAS Registry Number | 104755-51-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H44O2 |
| InChI | InChI=1S/C26H44O2/c1-18(2)8-6-9-20(4)23-12-13-24-22-11-14-25(27)28-17-7-10-19(3)21(22)15-16-26(23,24)5/h10,18,20-24H,6-9,11-17H2,1-5H3/b19-10-/t20-,21-,22-,23-,24+,26-/m1/s1 |
| InChIKey | JBDLGHAFHOQHEA-YIESADSKSA-N |
| Molecular Weight | 388.636 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC(OCC\C=C/([C@]3(CC2)[H])C)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-002o-9056000000-ac175b536f7be62e6ed9 |
| Source of Spectrum | F-43-3382-23 |
| Synonyms | 4-Oxa-5,10-secocholest-1(10)-en-5-one, (1E)- Indeno[4,5-e]oxecin, 4-oxa-5,10-secocholest-1(10)-en-5-one deriv. (8aS,10aR,11R,13aS,13bR)-11-[(1R)-1,5-dimethylhexyl]-8,10a-dimethyl-1,5,6,8a,9,10,10a,11,12,13,13a,13b-dodecahydroindeno[4,5-e]oxecin-3(2H)-one 10,13-dimethyl-12-octyl-4-oxatricyclo[8.7.0(8,16).0(9,13))]heptdeca-17(1)-en-5-one 10,13-dimethyl-4-oxa-12-octyltricyclo[8.7.0(8,16).0(9,13)]heepttadeca-17(1)-en-5-one |
| Wiley ID | 1364162 |