| SpectraBase Spectrum ID |
GWuo2SOAi0W |
| Name |
Fulvestrant |
| CAS Registry Number |
129453-61-8 |
| Classification |
Pharmaceutical drug, antineoplastic |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
606.316607359 u |
| Formula |
C32H47F5O3S |
| InChI |
InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1 |
| InChIKey |
VWUXBMIQPBEWFH-WCCTWKNTSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
606.777 g/mol |
| Nominal Mass |
606 u |
| Quality |
994 |
| SMILES |
O[C@@]1([C@@]2([C@]([C@]3([C@@](C=4C(=CC(=CC4)O)C[C@]3(CCCCCCCCCS(CCCC(C(F)(F)F)(F)F)=O)[H])(CC2)[H])[H])(CC1)[H])C)[H] |
| SPLASH |
splash10-0zfr-2962120000-30e35020a6dd5cb7c9a4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
7alpha-(9-((4,4,5,5,5-Pentafluoropentyl)sulfinyl)nonyl)estra-1,3,5(10)triene-3,17beta-diol
Estra-1,3,5(10)triene-3,17-diol,7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-,(7alpha,17beta) |
| Technique |
DI/MS |
| Wiley ID |
DD2024_014000 |
