| SpectraBase Spectrum ID |
2XH2NCHuOas |
| Name |
2-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/c1-20-6-5-12-13(15(20)9-18-19(20)27-28(22,23)26-18)4-3-11-7-17(25-10-24-2)16(21)8-14(11)12/h7-8,12-13,15,18-19H,3-6,9-10H2,1-2H3/t12-,13+,15-,18-,19-,20-/m0/s1 |
| InChIKey |
VWTJFFRJBLJDFQ-YUTQSESTSA-N |
| Molecular Weight |
412.472 g/mol |
| SMILES |
[C@@]12(OS(O[C@]1(C[C@]1([C@@]3(CCc4cc(c(cc4[C@]3(CC[C@]21C)[H])F)OCOC)[H])[H])[H])(=O)=O)[H] |
| SPLASH |
splash10-01q9-0009600000-60595278c2fd5ed34ca3 |
| Source of Spectrum |
K-2002-662-14 |
| Wiley ID |
1580963 |
