SpectraBase Compound ID | rsHwuYJ9Ww |
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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-GCBXCTILSA-N |
Mol Weight | 581.0 g/mol |
Molecular Formula | C33H57FO3SSi |
Exact Mass | 580.378172 g/mol |
SpectraBase Spectrum ID | FDaxF36llZg |
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Name | (6R,19R)-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-GCBXCTILSA-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 | splash10-014i-0493280000-1a36fed3157e00d0b5df |
Source of Spectrum | E2-48-1490-11 |
Wiley ID | 1555362 |