| SpectraBase Compound ID | 23CMSUtyJ5B |
|---|---|
| InChI | InChI=1S/C44H84O5Si2/c1-34(20-18-26-43(8,9)47-33-45-11)39-24-25-40-36(21-19-27-44(39,40)10)23-22-35-30-37(32-38(31-35)49-51(14,15)42(5,6)7)46-28-16-17-29-48-50(12,13)41(2,3)4/h22-23,34,37-40H,16-21,24-33H2,1-15H3/b35-22+,36-23+/t34-,37-,38-,39-,40+,44-/m1/s1 |
| InChIKey | XYOVSLZZCJADMJ-JOLUEUTASA-N |
| Mol Weight | 749.3 g/mol |
| Molecular Formula | C44H84O5Si2 |
| Exact Mass | 748.585729 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7iawZYlaQcr |
|---|---|
| Name | 1.alpha.-{4-tert-Butyldimethylsilyloxy)butoxy}-25-(methoxymethoxy)-19-norvitamin D3 3-(tert-Butyldimethylsilyl) Ether |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H84O5Si2 |
| InChI | InChI=1S/C44H84O5Si2/c1-34(20-18-26-43(8,9)47-33-45-11)39-24-25-40-36(21-19-27-44(39,40)10)23-22-35-30-37(32-38(31-35)49-51(14,15)42(5,6)7)46-28-16-17-29-48-50(12,13)41(2,3)4/h22-23,34,37-40H,16-21,24-33H2,1-15H3/b35-22+,36-23+/t34-,37-,38-,39-,40+,44-/m1/s1 |
| InChIKey | XYOVSLZZCJADMJ-JOLUEUTASA-N |
| Instrument Name | JEOL JMSAX505HA |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm400537h |
| Molecular Weight | 749.321 g/mol |
| SMILES | C1\C(C[C@](C[C@@]1(O[Si](C(C)(C)C)(C)C)[H])(OCCCCO[Si](C(C)(C)C)(C)C)[H])=C\C=C/1CCC[C@]2([C@]1(CC[C@@]2([C@](C)(CCCC(OCOC)(C)C)[H])[H])[H])C |
| SPLASH | splash10-00e9-9000614000-a3670262eeb5a2d6fdc7 |
| Source of Spectrum | AF-56-6755-15 |
| Wiley ID | 1854581 |