![(4S)-4-{1-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]-oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]ethyl}-2-methyloctan-2-ol](/api/spectrum/HVHLVS9pbE2/structure.png?h=300&w=458 "(4S)-4-{1-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]-oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]ethyl}-2-methyloctan-2-ol")
| SpectraBase Compound ID | J2Uqaulr4rR |
|---|---|
| InChI | InChI=1S/C42H78O3Si2/c1-17-18-20-34(29-41(10,11)43)30(2)35-24-25-36-33(21-19-26-42(35,36)12)23-22-32-27-37(44-46(13,14)39(4,5)6)31(3)38(28-32)45-47(15,16)40(7,8)9/h22-23,30,34-38,43H,3,17-21,24-29H2,1-2,4-16H3/b33-23+/t30-,34+,35-,36+,37-,38-,42-/m1/s1 |
| InChIKey | DEWHZLRDMWDCBU-DIBYKUJGSA-N |
| Mol Weight | 687.3 g/mol |
| Molecular Formula | C42H78O3Si2 |
| Exact Mass | 686.548949 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HVHLVS9pbE2 |
|---|---|
| Name | (4S)-4-{1-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]-oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]ethyl}-2-methyloctan-2-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H78O3Si2 |
| InChI | InChI=1S/C42H78O3Si2/c1-17-18-20-34(29-41(10,11)43)30(2)35-24-25-36-33(21-19-26-42(35,36)12)23-22-32-27-37(44-46(13,14)39(4,5)6)31(3)38(28-32)45-47(15,16)40(7,8)9/h22-23,30,34-38,43H,3,17-21,24-29H2,1-2,4-16H3/b33-23+/t30-,34+,35-,36+,37-,38-,42-/m1/s1 |
| InChIKey | DEWHZLRDMWDCBU-DIBYKUJGSA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Molecular Weight | 687.253 g/mol |
| Reported Formula | C42H78O3Si2 |
| SMILES | OC(C[C@](CCCC)([C@@](C)([C@@]1([H])CC[C@]2(\C(=C\C=C3C[C@@](O[Si](C(C)(C)C)(C)C)(C(=C)[C@](O[Si](C)(C)C(C)(C)C)(C3)[H])[H])CCC[C@]12C)[H])[H])[H])(C)C |
| SPLASH | splash10-00di-9112030000-250655b9600b82f3b9a5 |
| Source of Spectrum | AF-53-5821-18 |
| Wiley ID | 1846213 |