![Ethyl (2E)-4-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)-silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]pent-2-enoate](/api/spectrum/IirJpfLIFJn/structure.png?h=300&w=458 "Ethyl (2E)-4-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)-silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]pent-2-enoate")
| SpectraBase Compound ID | KGm7YKSfkuY |
|---|---|
| InChI | InChI=1S/C38H66O4Si2/c1-15-40-35(39)23-18-27(2)31-21-22-32-30(17-16-24-38(31,32)10)20-19-29-25-33(41-43(11,12)36(4,5)6)28(3)34(26-29)42-44(13,14)37(7,8)9/h18-20,23,27,31-34H,3,15-17,21-22,24-26H2,1-2,4-14H3/b23-18+,30-20+/t27-,31-,32+,33-,34-,38-/m1/s1 |
| InChIKey | PNJFNEIQLBLGFZ-KCNLBSDASA-N |
| Mol Weight | 643.1 g/mol |
| Molecular Formula | C38H66O4Si2 |
| Exact Mass | 642.449964 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IirJpfLIFJn |
|---|---|
| Name | Ethyl (2E)-4-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)-silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]pent-2-enoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H66O4Si2 |
| InChI | InChI=1S/C38H66O4Si2/c1-15-40-35(39)23-18-27(2)31-21-22-32-30(17-16-24-38(31,32)10)20-19-29-25-33(41-43(11,12)36(4,5)6)28(3)34(26-29)42-44(13,14)37(7,8)9/h18-20,23,27,31-34H,3,15-17,21-22,24-26H2,1-2,4-14H3/b23-18+,30-20+/t27-,31-,32+,33-,34-,38-/m1/s1 |
| InChIKey | PNJFNEIQLBLGFZ-KCNLBSDASA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Molecular Weight | 643.112 g/mol |
| Reported Formula | C38H66O4Si2 |
| 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=C\C(OCC)=O)(C)[H])[H])[H])C |
| SPLASH | splash10-03k9-6101190000-b45197b7f66ce2d7aa22 |
| Source of Spectrum | AF-53-5818-9 |
| Wiley ID | 1846240 |