| SpectraBase Spectrum ID |
FvQ5nlWxClm |
| Name |
4-Fluoro-3-O-methoxymethyl-16.beta.,17.beta.-O-sulfonylestra-1,3,5(10)-trien-3,16.beta.,17.beta.-triol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H25FO6S |
| InChI |
InChI=1S/C20H25FO6S/c1-20-8-7-12-11-5-6-16(25-10-24-2)18(21)14(11)4-3-13(12)15(20)9-17-19(20)27-28(22,23)26-17/h5-6,12-13,15,17,19H,3-4,7-10H2,1-2H3/t12-,13-,15+,17+,19+,20+/m1/s1 |
| InChIKey |
IHZNUHWVUNHSNS-GNEURJQLSA-N |
| Molecular Weight |
412.472 g/mol |
| SMILES |
[C@@]12(OS(O[C@]1(C[C@]1([C@@]3(CCc4c(c(ccc4[C@]3(CC[C@]21C)[H])OCOC)F)[H])[H])[H])(=O)=O)[H] |
| SPLASH |
splash10-01q9-0009500000-6b0b21f7c4ad7f6f6044 |
| Source of Spectrum |
K-2002-662-14 |
| Wiley ID |
1580962 |
