| SpectraBase Spectrum ID |
2nm6Z6YkrQm |
| Name |
Fulvestrant-A (-C5H7F5)O) |
| Classification |
Pharmaceutical drug artifact |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
396.302830526 u |
| Formula |
C27H40O2 |
| InChI |
InChI=1S/C27H40O2/c1-3-4-5-6-7-8-9-10-19-17-20-18-21(28)11-12-22(20)23-15-16-27(2)24(26(19)23)13-14-25(27)29/h3,11-12,18-19,23-26,28-29H,1,4-10,13-17H2,2H3/t19-,23-,24+,25+,26-,27+/m1/s1 |
| InChIKey |
DRFXHZYKVCUHFM-NJGGNICLSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
396.615 g/mol |
| Nominal Mass |
396 u |
| Quality |
970 |
| Retention Index |
3094 |
| SMILES |
O[C@@]1([C@@]2([C@]([C@]3([C@@](C=4C(=CC(=CC4)O)C[C@]3(CCCCCCCC=C)[H])(CC2)[H])[H])(CC1)[H])C)[H] |
| SPLASH |
splash10-052b-3932000000-86d1ec51101fdf963c41 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(7alpha,17beta)-7-(Non-9-en-yl)estra-1,3,5(10)-triene-3,17-diol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001530 |
