![Methyl(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-ethylhexanoate](/api/spectrum/EtwvdtJ30fi/structure.png?h=300&w=458 "Methyl(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-ethylhexanoate")
| SpectraBase Compound ID | 2dMSDZK0FjK |
|---|---|
| InChI | InChI=1S/C40H72O4Si2/c1-16-31(21-24-37(41)42-11)28(2)33-22-23-34-32(18-17-25-40(33,34)10)20-19-30-26-35(43-45(12,13)38(4,5)6)29(3)36(27-30)44-46(14,15)39(7,8)9/h19-20,28,31,33-36H,3,16-18,21-27H2,1-2,4-15H3/b32-20+/t28-,31+,33-,34+,35-,36-,40-/m1/s1 |
| InChIKey | MKNYCGHABMDKTD-LIMGQQADSA-N |
| Mol Weight | 673.2 g/mol |
| Molecular Formula | C40H72O4Si2 |
| Exact Mass | 672.496914 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EtwvdtJ30fi |
|---|---|
| Name | Methyl(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-ethylhexanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H72O4Si2 |
| InChI | InChI=1S/C40H72O4Si2/c1-16-31(21-24-37(41)42-11)28(2)33-22-23-34-32(18-17-25-40(33,34)10)20-19-30-26-35(43-45(12,13)38(4,5)6)29(3)36(27-30)44-46(14,15)39(7,8)9/h19-20,28,31,33-36H,3,16-18,21-27H2,1-2,4-15H3/b32-20+/t28-,31+,33-,34+,35-,36-,40-/m1/s1 |
| InChIKey | MKNYCGHABMDKTD-LIMGQQADSA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Molecular Weight | 673.182 g/mol |
| Reported Formula | C40H72O4Si2 |
| SMILES | C(C)(C)(C)[Si](C)(O[C@@]1(CC(=C\C=C/2CCC[C@@]3(C)[C@@]2([H])CC[C@]3([H])[C@](C)([C@](CCC(OC)=O)(CC)[H])[H])C[C@@](O[Si](C(C)(C)C)(C)C)(C1=C)[H])[H])C |
| SPLASH | splash10-00dl-9213050000-9a3fa37287229dd4784b |
| Source of Spectrum | AF-53-5825-37 |
| Wiley ID | 1846226 |