![5-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-2-methylhexan-2-ol](/api/spectrum/AvSlpc7cJWF/structure.png?h=300&w=458 "5-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-2-methylhexan-2-ol")
| SpectraBase Compound ID | 8oyfaISB3GT |
|---|---|
| InChI | InChI=1S/C38H70O3Si2/c1-27(22-24-37(9,10)39)31-20-21-32-30(17-16-23-38(31,32)11)19-18-29-25-33(40-42(12,13)35(3,4)5)28(2)34(26-29)41-43(14,15)36(6,7)8/h18-19,27,31-34,39H,2,16-17,20-26H2,1,3-15H3/b30-19+/t27-,31-,32+,33-,34-,38-/m1/s1 |
| InChIKey | VOZUYTVIFINRBK-RSBMKWRKSA-N |
| Mol Weight | 631.1 g/mol |
| Molecular Formula | C38H70O3Si2 |
| Exact Mass | 630.486349 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AvSlpc7cJWF |
|---|---|
| Name | 5-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-2-methylhexan-2-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H70O3Si2 |
| InChI | InChI=1S/C38H70O3Si2/c1-27(22-24-37(9,10)39)31-20-21-32-30(17-16-23-38(31,32)11)19-18-29-25-33(40-42(12,13)35(3,4)5)28(2)34(26-29)41-43(14,15)36(6,7)8/h18-19,27,31-34,39H,2,16-17,20-26H2,1,3-15H3/b30-19+/t27-,31-,32+,33-,34-,38-/m1/s1 |
| InChIKey | VOZUYTVIFINRBK-RSBMKWRKSA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Molecular Weight | 631.145 g/mol |
| Reported Formula | C38H70O3Si2 |
| SMILES | OC(CC[C@]([C@]1(CC[C@@]2([C@@]1(CCC\C2=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])C)[H])[H])(C)[H])(C)C |
| SPLASH | splash10-0002-2002900000-d16ad5c131588aa57f88 |
| Source of Spectrum | AF-53-5820-12 |
| Wiley ID | 1846207 |