| SpectraBase Spectrum ID |
GXIskkpBcS8 |
| Name |
Fulvestrant-A (-C5H7F5)O) AC |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
438.313395209 u |
| Formula |
C29H42O3 |
| InChI |
InChI=1S/C29H42O3/c1-4-5-6-7-8-9-10-11-21-18-22-19-23(31)12-13-24(22)25-16-17-29(3)26(28(21)25)14-15-27(29)32-20(2)30/h4,12-13,19,21,25-28,31H,1,5-11,14-18H2,2-3H3/t21-,25-,26+,27+,28-,29+/m1/s1 |
| InChIKey |
PUZXXCRJOZATHD-LIHJZYAESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
438.652 g/mol |
| Nominal Mass |
438 u |
| Quality |
945 |
| Retention Index |
3391 |
| SMILES |
OC=1C=C2C([C@@]3([C@]([C@]4([C@@]([C@](CC4)(OC(=O)C)[H])(CC3)C)[H])([C@@](C2)(CCCCCCCC=C)[H])[H])[H])=CC1 |
| SPLASH |
splash10-052g-8911000000-b343b3cdb512a923f87f |
| Sample Comments |
Acetyl position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S,3aS,3bR,4R,9bS,11aS)-7-hydroxy-11a-methyl-4-(non-8-en-1-yl)-2,3,3a,3b,4,5,9b,10,11,11a-\rdecahydro-1H-cyclopenta[a]phenanthren-1-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001532 |
