![(5S)-6-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-5-ethyl-2-methylheptan-2-ol](/api/spectrum/DRf9IFatWY9/structure.png?h=300&w=458 "(5S)-6-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-5-ethyl-2-methylheptan-2-ol")
| SpectraBase Compound ID | Jtr0vcnNqql |
|---|---|
| InChI | InChI=1S/C41H76O3Si2/c1-17-32(24-26-40(10,11)42)29(2)34-22-23-35-33(19-18-25-41(34,35)12)21-20-31-27-36(43-45(13,14)38(4,5)6)30(3)37(28-31)44-46(15,16)39(7,8)9/h20-21,29,32,34-37,42H,3,17-19,22-28H2,1-2,4-16H3/b33-21+/t29-,32+,34-,35+,36-,37-,41-/m1/s1 |
| InChIKey | ZSYIGPVMRRYEQA-AYLRLGNESA-N |
| Mol Weight | 673.2 g/mol |
| Molecular Formula | C41H76O3Si2 |
| Exact Mass | 672.533299 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DRf9IFatWY9 |
|---|---|
| Name | (5S)-6-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-5-ethyl-2-methylheptan-2-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H76O3Si2 |
| InChI | InChI=1S/C41H76O3Si2/c1-17-32(24-26-40(10,11)42)29(2)34-22-23-35-33(19-18-25-41(34,35)12)21-20-31-27-36(43-45(13,14)38(4,5)6)30(3)37(28-31)44-46(15,16)39(7,8)9/h20-21,29,32,34-37,42H,3,17-19,22-28H2,1-2,4-16H3/b33-21+/t29-,32+,34-,35+,36-,37-,41-/m1/s1 |
| InChIKey | ZSYIGPVMRRYEQA-AYLRLGNESA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Molecular Weight | 673.226 g/mol |
| Reported Formula | C41H76O3Si2 |
| SMILES | OC(CC[C@@]([C@]([C@]1(CC[C@@]2([C@@]1(CCC\C2=C\C=C1C[C@@](O[Si](C)(C(C)(C)C)C)(C(=C)[C@](O[Si](C(C)(C)C)(C)C)(C1)[H])[H])C)[H])[H])(C)[H])(CC)[H])(C)C |
| SPLASH | splash10-00di-9111030000-5d8f57778a0a81ca6273 |
| Source of Spectrum | AF-53-5825-39 |
| Wiley ID | 1846228 |