| SpectraBase Spectrum ID |
DltK2npwspE |
| Name |
Fulvestrant-A (-C5H7F5)O) ME |
| Classification |
Pharmaceutical drug artifact derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
410.318480590 u |
| Formula |
C28H42O2 |
| InChI |
InChI=1S/C28H42O2/c1-4-5-6-7-8-9-10-11-20-18-21-19-22(30-3)12-13-23(21)24-16-17-28(2)25(27(20)24)14-15-26(28)29/h4,12-13,19-20,24-27,29H,1,5-11,14-18H2,2-3H3/t20-,24-,25+,26+,27-,28+/m1/s1 |
| InChIKey |
YCPBALQAZYPUIC-VLHBZWHISA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
410.642 g/mol |
| Nominal Mass |
410 u |
| Quality |
841 |
| Retention Index |
3194 |
| SMILES |
O[C@@]1([C@@]2([C@]([C@]3([C@@](C=4C(C[C@]3(CCCCCCCC=C)[H])=CC(=CC4)OC)(CC2)[H])[H])(CC1)[H])C)[H] |
| SPLASH |
splash10-05fr-5930100000-16164caf8f86dd882479 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S,3aS,3bR,4R,9bS,11aS)-7-methoxy-11a-methyl-4-(non-8-en-1-yl)-2,3,3a,3b,4,5,9b,10,11,11a-\rdecahydro-1H-cyclopenta[a]phenanthren-1-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001534 |
