| SpectraBase Spectrum ID |
2oAPxCnyVAe |
| Name |
Fulvestrant-A (-C5H7F5)O) 2TMS || |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
540.381884111 u |
| Formula |
C33H56O2Si2 |
| InChI |
InChI=1S/C33H56O2Si2/c1-9-10-11-12-13-14-15-16-25-23-26-24-27(34-36(3,4)5)17-18-28(26)29-21-22-33(2)30(32(25)29)19-20-31(33)35-37(6,7)8/h9,17-18,24-25,29-32H,1,10-16,19-23H2,2-8H3/t25-,29-,30+,31+,32-,33+/m1/s1 |
| InChIKey |
HSHSJCIRTOBMBG-SHMYUIBASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
540.979 g/mol |
| Nominal Mass |
540 u |
| Quality |
963 |
| Retention Index |
4037 |
| SMILES |
[C@@]12([C@]3([C@@]([C@](CC3)(O[Si](C)(C)C)[H])(CC[C@@]1(C=1C(C[C@]2(CCCCCCCC=C)[H])=CC(=CC1)O[Si](C)(C)C)[H])C)[H])[H] |
| SPLASH |
splash10-0006-0000090000-854758e9a0c5b2974ac0 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trimethyl(((1S,3aS,3bR,4R,9bS,11aS)-11a-methyl-4-(non-8-en-1-yl)-1-((trimethylsilyl)oxy)-\r2,3,3a,3b,4,5,9b,10,11,11a-decahydro-1H-cyclopenta[a]phenanthren-7-yl)oxy)silane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015207 |
