| SpectraBase Compound ID | G8hob73IjfZ |
|---|---|
| InChI | InChI=1S/C39H70O2Si3/c1-29(19-18-26-42(10,11)12)33-23-24-34-32(20-17-25-39(33,34)9)22-21-31-27-35(40-43(13,14)37(3,4)5)30(2)36(28-31)41-44(15,16)38(6,7)8/h21-22,29,33-36H,2,17,19-20,23-25,27-28H2,1,3-16H3/b32-22+/t29-,33-,34+,35-,36-,39-/m1/s1 |
| InChIKey | OWYCDZPNDKWWHK-KDRZFSSVSA-N |
| Mol Weight | 655.2 g/mol |
| Molecular Formula | C39H70O2Si3 |
| Exact Mass | 654.468361 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D8DIWRHAf5O |
|---|---|
| Name | 1a-Hydroxy-2-methylidene-24-trimethylsilyl-23,23,24,24-tetradehydro-19,25,26,27-tetranorvitamin D3 1,3-Bis(tert-butyldimethylsilyl)Ether |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H70O2Si3 |
| InChI | InChI=1S/C39H70O2Si3/c1-29(19-18-26-42(10,11)12)33-23-24-34-32(20-17-25-39(33,34)9)22-21-31-27-35(40-43(13,14)37(3,4)5)30(2)36(28-31)41-44(15,16)38(6,7)8/h21-22,29,33-36H,2,17,19-20,23-25,27-28H2,1,3-16H3/b32-22+/t29-,33-,34+,35-,36-,39-/m1/s1 |
| InChIKey | OWYCDZPNDKWWHK-KDRZFSSVSA-N |
| Instrument Name | Shimazu GCMS QP-2010 PLUS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm401989c |
| Molecular Weight | 655.242 g/mol |
| SMILES | C1[C@](C([C@@](CC1=C\C=C/1CCC[C@]2([C@]1(CC[C@@]2([C@@](CC#C[Si](C)(C)C)(C)[H])[H])[H])C)(O[Si](C(C)(C)C)(C)C)[H])=C)(O[Si](C(C)(C)C)(C)C)[H] |
| SPLASH | splash10-00di-9000020000-7c7aeffe03330099f61f |
| Source of Spectrum | AF-57-4082-7a |
| Wiley ID | 1854679 |