SpectraBase Spectrum ID |
gYA39wGXjS |
Name |
(5E,7E,10Z)-3-(Tert-butyldimethylsilyloxy)-19-fluoro-9,10-seco-5,7,10(19)-cholestriene |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
516.416271152 u |
Formula |
C33H57FOSi |
InChI |
InChI=1S/C33H57FOSi/c1-24(2)12-10-13-25(3)30-19-20-31-26(14-11-21-33(30,31)7)15-16-27-22-29(18-17-28(27)23-34)35-36(8,9)32(4,5)6/h15-16,23-25,29-31H,10-14,17-22H2,1-9H3/b26-15+,27-16+,28-23-/t25-,29+,30?,31?,33-/m1/s1 |
InChIKey |
LSJIAKZMKQRPAP-UYOVGBSDSA-N |
Molecular Weight |
516.901 g/mol |
SMILES |
[C@]12(C(\C(=C\C=C\3\C(=C/F)CC[C@](O[Si](C(C)(C)C)(C)C)(C3)[H])CCC1)CCC2[C@@](CCCC(C)C)(C)[H])C |