| SpectraBase Compound ID | 3UmYtC6bRNY |
|---|---|
| InChI | InChI=1S/C33H57FO3SSi/c1-22(2)12-10-13-23(3)28-17-18-29-24(14-11-19-33(28,29)7)20-30-27-21-25(37-39(8,9)32(4,5)6)15-16-26(27)31(34)38(30,35)36/h20,22-23,25,28-31H,10-19,21H2,1-9H3/b24-20+/t23-,25+,28?,29?,30+,31+,33-/m1/s1 |
| InChIKey | QAVNBUPDTJICRY-LZOWBMRQSA-N |
| Mol Weight | 581.0 g/mol |
| Molecular Formula | C33H57FO3SSi |
| Exact Mass | 580.378172 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2ay35T8TK4 |
|---|---|
| Name | (6S,19S)-Sulfonyl Adduct of (5Z,7E)-3-(tert-Butyldimethylsilyloxy)-19-fluoro-9,10-seco-5,7,10(19)-cholestriene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H57FO3SSi |
| InChI | InChI=1S/C33H57FO3SSi/c1-22(2)12-10-13-23(3)28-17-18-29-24(14-11-19-33(28,29)7)20-30-27-21-25(37-39(8,9)32(4,5)6)15-16-26(27)31(34)38(30,35)36/h20,22-23,25,28-31H,10-19,21H2,1-9H3/b24-20+/t23-,25+,28?,29?,30+,31+,33-/m1/s1 |
| InChIKey | QAVNBUPDTJICRY-LZOWBMRQSA-N |
| Molecular Weight | 580.959 g/mol |
| SMILES | [C@@]1(S([C@@](C=2CC[C@@](CC12)(O[Si](C(C)(C)C)(C)C)[H])(F)[H])(=O)=O)(\C=C\1C2[C@](C([C@@](CCCC(C)C)(C)[H])CC2)(C)CCC1)[H] |
| SPLASH | splash10-000i-0931210000-d8a4d8dae70b6fe3de3e |
| Source of Spectrum | E2-48-1490-9 |
| Wiley ID | 1555365 |