![(5S)-5-{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}-2-methylnonan-2-ol](/api/spectrum/DdKJPUKnQPq/structure.png?h=300&w=458 "(5S)-5-{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}-2-methylnonan-2-ol")
| SpectraBase Compound ID | L9kep6ezngu |
|---|---|
| InChI | InChI=1S/C43H80O3Si2/c1-17-18-20-34(26-28-42(10,11)44)31(2)36-24-25-37-35(21-19-27-43(36,37)12)23-22-33-29-38(45-47(13,14)40(4,5)6)32(3)39(30-33)46-48(15,16)41(7,8)9/h22-23,31,34,36-39,44H,3,17-21,24-30H2,1-2,4-16H3/b35-23+/t31-,34+,36-,37+,38-,39-,43-/m1/s1 |
| InChIKey | SMCJKPURPKHNMS-WSRIMQAFSA-N |
| Mol Weight | 701.3 g/mol |
| Molecular Formula | C43H80O3Si2 |
| Exact Mass | 700.5646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DdKJPUKnQPq |
|---|---|
| Name | (5S)-5-{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}-2-methylnonan-2-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C43H80O3Si2 |
| InChI | InChI=1S/C43H80O3Si2/c1-17-18-20-34(26-28-42(10,11)44)31(2)36-24-25-37-35(21-19-27-43(36,37)12)23-22-33-29-38(45-47(13,14)40(4,5)6)32(3)39(30-33)46-48(15,16)41(7,8)9/h22-23,31,34,36-39,44H,3,17-21,24-30H2,1-2,4-16H3/b35-23+/t31-,34+,36-,37+,38-,39-,43-/m1/s1 |
| InChIKey | SMCJKPURPKHNMS-WSRIMQAFSA-N |
| Instrument Name | a JEOL JMS D-300 and JEOL JMS-HX110A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm100649d |
| Molecular Weight | 701.280 g/mol |
| Reported Formula | C43H80O3Si2 |
| SMILES | OC(CC[C@@]([C@]([C@]1(CC[C@@]2([C@@]1(CCC\C2=C\C=C1C[C@@](O[Si](C)(C(C)(C)C)C)(C(=C)[C@](O[Si](C(C)(C)C)(C)C)(C1)[H])[H])C)[H])[H])(C)[H])(CCCC)[H])(C)C |
| SPLASH | splash10-00di-9001020000-9d6a8fdc7270a4d06276 |
| Source of Spectrum | AF-53-5824-38 |
| Wiley ID | 1846227 |