| SpectraBase Compound ID | 3e86xF3MJV9 |
|---|---|
| InChI | InChI=1S/C35H61FO5SSi/c1-23(2)13-11-14-24(3)28-16-17-29-25(15-12-18-35(28,29)7)19-31-27-20-26(41-43(9,10)34(4,5)6)21-30(40-22-39-8)32(27)33(36)42(31,37)38/h19,23-24,26,28-31,33H,11-18,20-22H2,1-10H3/b25-19+/t24-,26-,28?,29?,30+,31+,33-,35-/m1/s1 |
| InChIKey | QRSXGLYNGWLQOB-CBJLYOOHSA-N |
| Mol Weight | 641.0 g/mol |
| Molecular Formula | C35H61FO5SSi |
| Exact Mass | 640.399301 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2wDumPRHRjN |
|---|---|
| Name | (6S,19R)-Sulfonyl Adduct of (5Z,7E)-1-(Methoxymethoxy)-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 | C35H61FO5SSi |
| InChI | InChI=1S/C35H61FO5SSi/c1-23(2)13-11-14-24(3)28-16-17-29-25(15-12-18-35(28,29)7)19-31-27-20-26(41-43(9,10)34(4,5)6)21-30(40-22-39-8)32(27)33(36)42(31,37)38/h19,23-24,26,28-31,33H,11-18,20-22H2,1-10H3/b25-19+/t24-,26-,28?,29?,30+,31+,33-,35-/m1/s1 |
| InChIKey | QRSXGLYNGWLQOB-CBJLYOOHSA-N |
| Molecular Weight | 641.011 g/mol |
| SMILES | [C@@]1(S([C@](C=2C[C@](C[C@@](C12)(OCOC)[H])(O[Si](C(C)(C)C)(C)C)[H])(\C=C\1C2[C@](C([C@@](CCCC(C)C)(C)[H])CC2)(C)CCC1)[H])(=O)=O)(F)[H] |
| SPLASH | splash10-004i-9102150000-81816f80cd2838614f7b |
| Source of Spectrum | E2-48-1490-8 |
| Wiley ID | 1555361 |