| SpectraBase Compound ID | GoxOCo8rz9I |
|---|---|
| InChI | InChI=1S/C27H46O3/c1-18(2)10-9-11-19(3)20-13-14-21-24(25(29)30-6)22(15-17-26(20,21)4)27(5)16-8-7-12-23(27)28/h18-22,24H,7-17H2,1-6H3 |
| InChIKey | NEXVOLKTCOXRGG-UHFFFAOYSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C27H46O3 |
| Exact Mass | 418.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9Pqe9VvLLGo |
|---|---|
| Name | b-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10.alpha.)- |
| CAS Registry Number | 1253-62-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O3 |
| InChI | InChI=1S/C27H46O3/c1-18(2)10-9-11-19(3)20-13-14-21-24(25(29)30-6)22(15-17-26(20,21)4)27(5)16-8-7-12-23(27)28/h18-22,24H,7-17H2,1-6H3 |
| InChIKey | NEXVOLKTCOXRGG-UHFFFAOYSA-N |
| Molecular Weight | 418.662 g/mol |
| SMILES | CC12C(C(C(OC)=O)C(CC2)C2(C)C(=O)CCCC2)CCC1C(CCCC(C)C)C |
| SPLASH | splash10-03di-1900000000-5bc15bbcefbfbf41964d |
| Source of Spectrum | O-8-3-2 |
| Synonyms | Methyl 1-(1,5-dimethylhexyl)-7a-methyl-5-(1-methyl-2-oxocyclohexyl)octahydro-1H-indene-4-carboxylate 1-(1,5-dimethylhexyl)-5-(2-keto-1-methyl-cyclohexyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid methyl ester 7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxocyclohexyl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid methyl ester b-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester Methyl 1-(1,5-dimethylhexyl)-7a-methyl-5-(1-methyl-2-oxo-cyclohexyl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylate Methyl 7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxidanylidene-cyclohexyl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylate Methyl 7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxocyclohexyl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylate |
| Wiley ID | 1377445 |