Molecular properties
- Formula
- C32H47F5O3S
- Molar mass
- 606.78 g·mol−1
- Exact mass
- 606.3166 Da
- 7
- PubChem CID
- 104741
Molecule record
(7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
C32H47F5O3S
606.78 g/mol
Loading structure
Functional groups
Alcohol
Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Phenol
Sulfoxide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (7alpha,17beta)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol
- 129453-61-8
- 22X328QOC4
- 642-998-6
- 7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)estra-1,3,5(10)-triene-3,17-diol
- 7a-(9-((4,4,5,5,5,-Pentafluoropentyl)sulphinyl)nonyl)-estra-1,3,5(10)-triene-3,17b-diol
- 7alpha-(9-((4,4,5,5,5-Pentafluoropentyl)sulfinyl)nonyl)estra-1,3,5(10)-triene-3,17beta-diol
- CHEBI:31638
Show all 24 synonyms
- DTXCID202369
- DTXSID4022369
- Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-, (7alpha,17beta)-
- Faslodex
- Faslodex(ICI 182,780)
- Fulvestrant
- ICI 182,780
- ICI182780
- L02BA03
- NSC-759879
- NSC719276
- RefChem:57293
- ZD-9238
- ZD9238
- ZM182780
- fulvestrantum
Structure identifiers
- Canonical SMILES
- C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O
- Isomeric SMILES
- C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F
- InChI
- InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1
- InChIKey
- VWUXBMIQPBEWFH-WCCTWKNTSA-N
- PubChem CID
- 104741
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for (7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for (7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.