| SpectraBase Compound ID | 7pP36b76WLr |
|---|---|
| InChI | InChI=1S/C28H48O3/c1-19(2)10-9-11-20(3)22-13-14-23-21(18-26(30)31-6)24(15-17-27(22,23)4)28(5)16-8-7-12-25(28)29/h19-24H,7-18H2,1-6H3 |
| InChIKey | ZZBBLZGWMPVFBL-UHFFFAOYSA-N |
| Mol Weight | 432.7 g/mol |
| Molecular Formula | C28H48O3 |
| Exact Mass | 432.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AAQ4UAFUEJC |
|---|---|
| Name | 5,6-Secocholestan-6-oic acid, 1-oxo-, ethyl ester, (10.alpha.)- |
| CAS Registry Number | 53512-64-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O3 |
| InChI | InChI=1S/C28H48O3/c1-19(2)10-9-11-20(3)22-13-14-23-21(18-26(30)31-6)24(15-17-27(22,23)4)28(5)16-8-7-12-25(28)29/h19-24H,7-18H2,1-6H3 |
| InChIKey | ZZBBLZGWMPVFBL-UHFFFAOYSA-N |
| Molecular Weight | 432.689 g/mol |
| SMILES | C(C(OC)=O)C1C2C(C)(C(C(CCCC(C)C)C)CC2)CCC1C1(C)C(=O)CCCC1 |
| SPLASH | splash10-03di-2910000000-ba7a6b853d71a8a30c6a |
| Source of Spectrum | O-8-4-4 |
| Synonyms | Methyl [1-(1,5-dimethylhexyl)-7a-methyl-5-(1-methyl-2-oxocyclohexyl)octahydro-1H-inden-4-yl]acetate 2-[1-(1,5-dimethylhexyl)-5-(2-keto-1-methyl-cyclohexyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid methyl ester 2-[7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxocyclohexyl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid methyl ester Methyl 2-[1-(1,5-dimethylhexyl)-7a-methyl-5-(1-methyl-2-oxo-cyclohexyl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetate Methyl 2-[7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxidanylidene-cyclohexyl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]ethanoate Methyl 2-[7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxocyclohexyl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetate Methyl 5-oxo-5,6-secocholestan-6-oate |
| Wiley ID | 1382503 |