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Mestranol AC
SpectraBase Compound ID LeMmj5ncA2w
InChI InChI=1S/C23H28O3/c1-5-23(26-15(2)24)13-11-21-20-8-6-16-14-17(25-4)7-9-18(16)19(20)10-12-22(21,23)3/h1,7,9,14,19-21H,6,8,10-13H2,2-4H3
InChIKey VUOXWYSHLSLTID-UHFFFAOYSA-N
Mol Weight 352.47 g/mol
Molecular Formula C23H28O3
Exact Mass 352.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3e0XtEuPoiW
Name (17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl) acetate
Alternate Name(s) (17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl) ethanoate 17-ethynyl-3-methoxyestra-1,3,5(10)-trien-17-yl acetate Acetic acid (17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl) ester
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Formula C23H28O3
InChI InChI=1S/C23H28O3/c1-5-23(26-15(2)24)13-11-21-20-8-6-16-14-17(25-4)7-9-18(16)19(20)10-12-22(21,23)3/h1,7,9,14,19-21H,6,8,10-13H2,2-4H3
InChIKey VUOXWYSHLSLTID-UHFFFAOYSA-N
Molecular Weight 352.474 g/mol
SMILES C12(C(C#C)(OC(=O)C)CCC2C2CCc3c(C2CC1)ccc(OC)c3)C
SPLASH splash10-017i-9221000000-88f24c9bd63970ffab06
Source of Spectrum CJ-1992-0-0
Wiley ID 1343645