![(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}octanenitrile](/api/spectrum/KtwIGQQSGEO/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}octanenitrile")
| SpectraBase Compound ID | 2j8x8tayTG5 |
|---|---|
| InChI | InChI=1S/C41H73NO2Si2/c1-15-16-19-33(21-18-27-42)30(2)35-24-25-36-34(20-17-26-41(35,36)10)23-22-32-28-37(43-45(11,12)39(4,5)6)31(3)38(29-32)44-46(13,14)40(7,8)9/h22-23,30,33,35-38H,3,15-21,24-26,28-29H2,1-2,4-14H3/b34-23+/t30-,33+,35-,36+,37-,38-,41-/m1/s1 |
| InChIKey | IHVFBUPQIHCYKK-VONAAOFTSA-N |
| Mol Weight | 668.2 g/mol |
| Molecular Formula | C41H73NO2Si2 |
| Exact Mass | 667.517984 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KtwIGQQSGEO |
|---|---|
| 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}octanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H73NO2Si2 |
| InChI | InChI=1S/C41H73NO2Si2/c1-15-16-19-33(21-18-27-42)30(2)35-24-25-36-34(20-17-26-41(35,36)10)23-22-32-28-37(43-45(11,12)39(4,5)6)31(3)38(29-32)44-46(13,14)40(7,8)9/h22-23,30,33,35-38H,3,15-21,24-26,28-29H2,1-2,4-14H3/b34-23+/t30-,33+,35-,36+,37-,38-,41-/m1/s1 |
| InChIKey | IHVFBUPQIHCYKK-VONAAOFTSA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Reported Formula | C41H73NO2Si2 |
| SMILES | C1C[C@]2([C@](\C(C1)=C\C=C1C[C@](C([C@@](C1)(O[Si](C(C)(C)C)(C)C)[H])=C)(O[Si](C(C)(C)C)(C)C)[H])(CC[C@@]2([C@@]([C@](CCC#N)(CCCC)[H])(C)[H])[H])[H])C |
| SPLASH | splash10-00di-9010210000-1341613f304e7e32287e |
| Source of Spectrum | AF-53-5823-30 |
| Wiley ID | 1846219 |