| SpectraBase Spectrum ID |
9j3PGLA2ZRA |
| Name |
Fulvestrant 3TMS |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
822.435187737 u |
| Formula |
C41H71F5O3SSi3 |
| InChI |
InChI=1S/C41H71F5O3SSi3/c1-39-26-24-35-34-21-20-33(47-51(2,3)4)30-32(34)29-31(38(35)36(39)22-23-37(39)48-52(5,6)7)19-16-14-12-11-13-15-17-27-50(49-53(8,9)10)28-18-25-40(42,43)41(44,45)46/h20-21,28,30-31,35-38H,11-19,22-27,29H2,1-10H3/t31-,35-,36+,37+,38-,39+,50?/m1/s1 |
| InChIKey |
LDLBIIGMJARYPF-POXJIVNUSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
823.323 g/mol |
| Nominal Mass |
822 u |
| Quality |
864 |
| Retention Index |
5895 |
| SMILES |
[C@@]12([C@]3([C@@]([C@](CC3)(O[Si](C)(C)C)[H])(CC[C@@]1(C=1C(C[C@]2(CCCCCCCCCS(O[Si](C)(C)C)=CCCC(C(F)(F)F)(F)F)[H])=CC(=CC1)O[Si](C)(C)C)[H])C)[H])[H] |
| SPLASH |
splash10-00di-3250093100-fdeaca3438ff0c58f2c5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trimethyl(((9-((1S,3aS,3bR,4R,9bS,11aS)-11a-methyl-1,7-bis((trimethylsilyl)oxy)-2,3,3a,3b,4,5,9b,\r10,11,11a-decahydro-1H-cyclopenta[a]phenanthren-4-yl)nonyl)(4,4,5,5,5-pentafluoropentylidene)-\rlambda4-sulfanyl)oxy)silane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014434 |
