| SpectraBase Compound ID | 6RicKCg501z |
|---|---|
| InChI | InChI=1S/C28H46O3/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/h7,12,19-24H,8-11,13-18H2,1-6H3 |
| InChIKey | BYFNYXBXWHLCSW-UHFFFAOYSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C28H46O3 |
| Exact Mass | 430.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hp06MuKGEpe |
|---|---|
| Name | 5,6-Secocholest-2-en-6-oic acid, 1-oxo-, methyl ester, (10.alpha.)- |
| CAS Registry Number | 14772-40-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/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/h7,12,19-24H,8-11,13-18H2,1-6H3 |
| InChIKey | BYFNYXBXWHLCSW-UHFFFAOYSA-N |
| Molecular Weight | 430.673 g/mol |
| SMILES | C(C(OC)=O)C1C2C(C)(C(C(CCCC(C)C)C)CC2)CCC1C1(C)C(=O)C=CCC1 |
| SPLASH | splash10-03di-2901000000-f714d3ddfb1b1f29d8b3 |
| Source of Spectrum | O-8-6-7 |
| Synonyms | Methyl [1-(1,5-dimethylhexyl)-7a-methyl-5-(1-methyl-2-oxo-3-cyclohexen-1-yl)octahydro-1H-inden-4-yl]acetate 2-[1-(1,5-dimethylhexyl)-5-(2-keto-1-methyl-cyclohex-3-en-1-yl)-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-oxo-1-cyclohex-3-enyl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid methyl ester 5,6-Secocholest-3-en-6-oic acid, 5-oxo-, methyl ester Methyl 2-[1-(1,5-dimethylhexyl)-7a-methyl-5-(1-methyl-2-oxo-cyclohex-3-en-1-yl)-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-cyclohex-3-en-1-yl)-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-oxocyclohex-3-en-1-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetate Methyl 5-oxo-5,6-secocholest-3-en-6-oate |
| Wiley ID | 1381759 |