| SpectraBase Compound ID | 8sf0OF7hP3o |
|---|---|
| InChI | InChI=1S/C26H44O3/c1-17(2)9-8-10-18(3)19-12-13-20-23(24(28)29)21(14-16-25(19,20)4)26(5)15-7-6-11-22(26)27/h17-21,23H,6-16H2,1-5H3,(H,28,29) |
| InChIKey | CGYXDTVDPDQBGI-UHFFFAOYSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C26H44O3 |
| Exact Mass | 404.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H4TtGHlyxPU |
|---|---|
| Name | B-Nor-5,6-secocholestan-6-oic acid, 1-oxo-, (10.beta.)- |
| CAS Registry Number | 50364-98-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H44O3 |
| InChI | InChI=1S/C26H44O3/c1-17(2)9-8-10-18(3)19-12-13-20-23(24(28)29)21(14-16-25(19,20)4)26(5)15-7-6-11-22(26)27/h17-21,23H,6-16H2,1-5H3,(H,28,29) |
| InChIKey | CGYXDTVDPDQBGI-UHFFFAOYSA-N |
| Molecular Weight | 404.635 g/mol |
| SMILES | OC(C1C2C(C)(C(C(CCCC(C)C)C)CC2)CCC1C1(C)C(=O)CCCC1)=O |
| SPLASH | splash10-03di-3911000000-25a5ec7ac13efb22ce2b |
| Source of Spectrum | O-8-2-1 |
| Synonyms | 1-(1,5-Dimethylhexyl)-7a-methyl-5-(1-methyl-2-oxocyclohexyl)octahydro-1H-indene-4-carboxylic acid 1-(1,5-dimethylhexyl)-5-(2-keto-1-methyl-cyclohexyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid 1-(1,5-dimethylhexyl)-7a-methyl-5-(1-methyl-2-oxo-cyclohexyl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid 7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxidanylidene-cyclohexyl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid 7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxocyclohexyl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid |
| Wiley ID | 1371546 |