| SpectraBase Spectrum ID |
37IUMFWWBc |
| Name |
Fulvestrant-A (-C5H7F5)O) 2ME |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
424.334130655 u |
| Formula |
C29H44O2 |
| InChI |
InChI=1S/C29H44O2/c1-5-6-7-8-9-10-11-12-21-19-22-20-23(30-3)13-14-24(22)25-17-18-29(2)26(28(21)25)15-16-27(29)31-4/h5,13-14,20-21,25-28H,1,6-12,15-19H2,2-4H3/t21-,25-,26+,27+,28-,29+/m1/s1 |
| InChIKey |
OIEXVDRUSHYTDR-LIHJZYAESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
424.669 g/mol |
| Nominal Mass |
424 u |
| Quality |
942 |
| Retention Index |
3295 |
| SMILES |
[C@@]12([C@]3([C@@]([C@](CC3)(OC)[H])(CC[C@@]1(C=1C(C[C@]2(CCCCCCCC=C)[H])=CC(=CC1)OC)[H])C)[H])[H] |
| SPLASH |
splash10-00di-5920100000-020633a0d4f96de33012 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S,3aS,3bR,4R,9bS,11aS)-1,7-dimethoxy-11a-methyl-4-(non-8-en-1-yl)-2,3,3a,3b,4,5,9b,10,11,\r11a-decahydro-1H-cyclopenta[a]phenanthrene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001533 |
