| SpectraBase Spectrum ID |
2mwloYfi1bM |
| Name |
Fulvestrant-A (-C5H7F5)O) 2AC |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
480.323959893 u |
| Formula |
C31H44O4 |
| InChI |
InChI=1S/C31H44O4/c1-5-6-7-8-9-10-11-12-23-19-24-20-25(34-21(2)32)13-14-26(24)27-17-18-31(4)28(30(23)27)15-16-29(31)35-22(3)33/h5,13-14,20,23,27-30H,1,6-12,15-19H2,2-4H3/t23-,27-,28+,29+,30-,31+/m1/s1 |
| InChIKey |
WFXCMVBZGACLRD-HZXDAVMFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
480.689 g/mol |
| Nominal Mass |
480 u |
| Quality |
962 |
| Retention Index |
3688 |
| SMILES |
[C@@]12([C@]3([C@@]([C@](CC3)(OC(=O)C)[H])(CC[C@@]1(C=1C(C[C@]2(CCCCCCCC=C)[H])=CC(=CC1)OC(=O)C)[H])C)[H])[H] |
| SPLASH |
splash10-0006-9710000000-8cc34469dd0e776578c7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S,3aS,3bR,4R,9bS,11aS)-1-(acetyloxy)-11a-methyl-4-(non-8-en-1-yl)-2,3,3a,3b,4,5,9b,10,11,\r11a-decahydro-1H-cyclopenta[a]phenanthren-7-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001531 |
