![Et(3S)-4-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]-oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-3-ethylpentanoate](/api/spectrum/K3YL1NLh7yR/structure.png?h=300&w=458 "Et(3S)-4-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]-oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-3-ethylpentanoate")
| SpectraBase Compound ID | 9ZgChxHOZGJ |
|---|---|
| InChI | InChI=1S/C40H72O4Si2/c1-16-31(27-37(41)42-17-2)28(3)33-22-23-34-32(19-18-24-40(33,34)11)21-20-30-25-35(43-45(12,13)38(5,6)7)29(4)36(26-30)44-46(14,15)39(8,9)10/h20-21,28,31,33-36H,4,16-19,22-27H2,1-3,5-15H3/b32-21+/t28-,31+,33-,34+,35-,36-,40-/m1/s1 |
| InChIKey | VICQEASUWAWEMJ-YYKUIZJKSA-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 | K3YL1NLh7yR |
|---|---|
| Name | Et(3S)-4-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]-oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-3-ethylpentanoate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H72O4Si2 |
| InChI | InChI=1S/C40H72O4Si2/c1-16-31(27-37(41)42-17-2)28(3)33-22-23-34-32(19-18-24-40(33,34)11)21-20-30-25-35(43-45(12,13)38(5,6)7)29(4)36(26-30)44-46(14,15)39(8,9)10/h20-21,28,31,33-36H,4,16-19,22-27H2,1-3,5-15H3/b32-21+/t28-,31+,33-,34+,35-,36-,40-/m1/s1 |
| InChIKey | VICQEASUWAWEMJ-YYKUIZJKSA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Reported Formula | C40H72O4Si2 |
| 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@](CC(OCC)=O)(CC)[H])(C)[H])[H])[H])C |
| SPLASH | splash10-00di-9201020000-8c655b7a549569329de3 |
| Source of Spectrum | AF-53-5821-15 |
| Wiley ID | 1846210 |