![Methyl (4S)-4-{1-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)-silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]ethyl}octanoate](/api/spectrum/fxKiXm8sBR/structure.png?h=300&w=458 "Methyl (4S)-4-{1-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)-silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]ethyl}octanoate")
| SpectraBase Compound ID | 6yVgvgSWW88 |
|---|---|
| InChI | InChI=1S/C42H76O4Si2/c1-16-17-19-33(23-26-39(43)44-11)30(2)35-24-25-36-34(20-18-27-42(35,36)10)22-21-32-28-37(45-47(12,13)40(4,5)6)31(3)38(29-32)46-48(14,15)41(7,8)9/h21-22,30,33,35-38H,3,16-20,23-29H2,1-2,4-15H3/b34-22+/t30-,33+,35-,36+,37-,38-,42-/m1/s1 |
| InChIKey | GRGIYRRTAOXOHD-JLBBABEDSA-N |
| Mol Weight | 701.2 g/mol |
| Molecular Formula | C42H76O4Si2 |
| Exact Mass | 700.528214 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | fxKiXm8sBR |
|---|---|
| Name | Methyl (4S)-4-{1-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)-silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]ethyl}octanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H76O4Si2 |
| InChI | InChI=1S/C42H76O4Si2/c1-16-17-19-33(23-26-39(43)44-11)30(2)35-24-25-36-34(20-18-27-42(35,36)10)22-21-32-28-37(45-47(12,13)40(4,5)6)31(3)38(29-32)46-48(14,15)41(7,8)9/h21-22,30,33,35-38H,3,16-20,23-29H2,1-2,4-15H3/b34-22+/t30-,33+,35-,36+,37-,38-,42-/m1/s1 |
| InChIKey | GRGIYRRTAOXOHD-JLBBABEDSA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Reported Formula | C42H76O4Si2 |
| 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)(CCCC)[H])[H])C[C@@](O[Si](C(C)(C)C)(C)C)(C1=C)[H])[H])C |
| SPLASH | splash10-01b9-9204050000-621436a7739a24b771e1 |
| Source of Spectrum | AF-53-5824-36 |
| Wiley ID | 1846225 |