| SpectraBase Spectrum ID |
Dlv889USAKW |
| Name |
Fulvestrant-A (-H2O) 2TMS |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
732.385096261 u |
| Formula |
C38H61F5O2SSi2 |
| InChI |
InChI=1S/C38H61F5O2SSi2/c1-36-22-15-18-34(36)35-29(27-30-28-31(44-47(2,3)4)19-20-32(30)33(35)21-24-36)17-13-11-9-8-10-12-14-25-46(45-48(5,6)7)26-16-23-37(39,40)38(41,42)43/h15,19-20,22,26,28-29,33-35H,8-14,16-18,21,23-25,27H2,1-7H3/t29-,33-,34+,35-,36+,46?/m1/s1 |
| InChIKey |
JWQUNVXVHALBIN-APZKJKALSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
733.126 g/mol |
| Nominal Mass |
732 u |
| Quality |
777 |
| Retention Index |
5303 |
| SMILES |
[C@]12([C@]3([C@](CC[C@@]2(C=2C(C[C@]1(CCCCCCCCCS(O[Si](C)(C)C)=CCCC(C(F)(F)F)(F)F)[H])=CC(=CC2)O[Si](C)(C)C)[H])(C=CC3)C)[H])[H] |
| SPLASH |
splash10-001i-0010000900-1b1160651b2b60188b71 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trimethyl(((3aS,3bS,4R,9bS,11aR)-11a-methyl-4-(9-((4,4,5,5,5-pentafluoropentylidene)\r((trimethylsilyl)oxy)-lambda4-sulfanyl)nonyl)-3a,3b,4,5,9b,10,11,11a-octahydro-3H-cyclopenta[a]\rphenanthren-7-yl)oxy)silane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014435 |
