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6H-Cyclopenta[a]phenanthren-17-ol, 7,11,12,13,16,17-hexahydro-3-methoxy-13-(trifluoromethyl)-, acetate, cis-(.+-.)-
SpectraBase Compound ID G2fAii9bHf0
InChI InChI=1S/C21H21F3O3/c1-12(25)27-19-8-7-18-17-5-3-13-11-14(26-2)4-6-15(13)16(17)9-10-20(18,19)21(22,23)24/h4,6-7,11,19H,3,5,8-10H2,1-2H3
InChIKey YGFPLVWAMVLLSU-UHFFFAOYSA-N
Mol Weight 378.39 g/mol
Molecular Formula C21H21F3O3
Exact Mass 378.144279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EfgxAWYGNYj
Name 6H-Cyclopenta[a]phenanthren-17-ol, 7,11,12,13,16,17-hexahydro-3-methoxy-13-(trifluoromethyl)-, acetate, cis-(.+-.)-
Alternate Name(s) (+)-7,11,12,13,16,17-hexahydro-3-methoxy-13-(trifluoromethyl)-6H-cyclopenta[a]phenanthren-17-ol acetate (+-)-7,11,12,13,16,17-Hexahydro-3-methoxy-13-(trifluoromethyl)-6H-cyclopenta[a]phenanthren-17-ol acetate 18,18,18-trifluoro-3-methoxyestra-1(10),2,4,8,14-pentaen-17-yl acetate
CAS Registry Number 89049-70-7
Comments Less than 3 mono-isotopic peaks
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Formula C21H21F3O3
InChI InChI=1S/C21H21F3O3/c1-12(25)27-19-8-7-18-17-5-3-13-11-14(26-2)4-6-15(13)16(17)9-10-20(18,19)21(22,23)24/h4,6-7,11,19H,3,5,8-10H2,1-2H3
InChIKey YGFPLVWAMVLLSU-UHFFFAOYSA-N
Molecular Weight 378.391 g/mol
SMILES C12(C(C=3CCc4c(C3CC2)ccc(OC)c4)=CCC1OC(=O)C)C(F)(F)F
SPLASH splash10-014i-0009000000-ab2616eac456fa8b1552
Source of Spectrum KC-1986-339-6
Wiley ID 1358770