![(4S)-5-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-4-ethylhexanenitrile](/api/spectrum/EJYuDNx6sfS/structure.png?h=300&w=458 "(4S)-5-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-4-ethylhexanenitrile")
| SpectraBase Compound ID | 2qKrHtjxBCA |
|---|---|
| InChI | InChI=1S/C39H69NO2Si2/c1-15-31(19-17-25-40)28(2)33-22-23-34-32(18-16-24-39(33,34)10)21-20-30-26-35(41-43(11,12)37(4,5)6)29(3)36(27-30)42-44(13,14)38(7,8)9/h20-21,28,31,33-36H,3,15-19,22-24,26-27H2,1-2,4-14H3/b32-21+/t28-,31+,33-,34+,35-,36-,39-/m1/s1 |
| InChIKey | DNYNVFDSGWEXLS-FERZZKPESA-N |
| Mol Weight | 640.2 g/mol |
| Molecular Formula | C39H69NO2Si2 |
| Exact Mass | 639.486684 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EJYuDNx6sfS |
|---|---|
| Name | (4S)-5-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-4-ethylhexanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H69NO2Si2 |
| InChI | InChI=1S/C39H69NO2Si2/c1-15-31(19-17-25-40)28(2)33-22-23-34-32(18-16-24-39(33,34)10)21-20-30-26-35(41-43(11,12)37(4,5)6)29(3)36(27-30)42-44(13,14)38(7,8)9/h20-21,28,31,33-36H,3,15-19,22-24,26-27H2,1-2,4-14H3/b32-21+/t28-,31+,33-,34+,35-,36-,39-/m1/s1 |
| InChIKey | DNYNVFDSGWEXLS-FERZZKPESA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Molecular Weight | 640.156 g/mol |
| Reported Formula | C39H69NO2Si2 |
| 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)(CC)[H])(C)[H])[H])[H])C |
| SPLASH | splash10-0fk9-9101420000-5f6d2c79e14bf66f2258 |
| Source of Spectrum | AF-53-5824-31 |
| Wiley ID | 1846220 |