![(8.beta.)-8-[(tert-Butyldimethylsilyl)oxy]-des-A,B-18-[2-(methoxycarbonyl)ethyl]pregnan-20-one](/api/spectrum/9FxS2Q2PpS8/structure.png?h=300&w=458 "(8.beta.)-8-[(tert-Butyldimethylsilyl)oxy]-des-A,B-18-[2-(methoxycarbonyl)ethyl]pregnan-20-one")
| SpectraBase Compound ID | 9SHwG3gtQBW |
|---|---|
| InChI | InChI=1S/C22H40O4Si/c1-16(23)17-12-13-18-19(26-27(6,7)21(2,3)4)10-8-14-22(17,18)15-9-11-20(24)25-5/h17-19H,8-15H2,1-7H3/t17-,18+,19+,22+/m1/s1 |
| InChIKey | CDAHEOVIWICBRD-GHDARCQNSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C22H40O4Si |
| Exact Mass | 396.269586 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9FxS2Q2PpS8 |
|---|---|
| Name | (8.beta.)-8-[(tert-Butyldimethylsilyl)oxy]-des-A,B-18-[2-(methoxycarbonyl)ethyl]pregnan-20-one |
| Alternate Name(s) | 4-[(3S,3aR,7S,7aR)-3-acetyl-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]butanoic acid methyl ester methyl 4-[(3S,3aR,7S,7aR)-3-acetyl-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]butanoate methyl 4-[(3S,3aR,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-3-ethanoyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]butanoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H40O4Si |
| InChI | InChI=1S/C22H40O4Si/c1-16(23)17-12-13-18-19(26-27(6,7)21(2,3)4)10-8-14-22(17,18)15-9-11-20(24)25-5/h17-19H,8-15H2,1-7H3/t17-,18+,19+,22+/m1/s1 |
| InChIKey | CDAHEOVIWICBRD-GHDARCQNSA-N |
| Molecular Weight | 396.643 g/mol |
| SMILES | [C@@]12([C@]([C@@](O[Si](C(C)(C)C)(C)C)(CCC2)[H])(CC[C@@]1(C(=O)C)[H])[H])CCCC(=O)OC |
| SPLASH | splash10-000i-0009000000-dbaf6fc5543330fcbed0 |
| Source of Spectrum | J-67-4711-11 |
| Wiley ID | 1570238 |