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17α-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17β-ol
SpectraBase Compound ID 2MTGg3B8nSn
InChI InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey IMSSROKUHAOUJS-MJCUULBUSA-N
Mol Weight 310.44 g/mol
Molecular Formula C21H26O2
Exact Mass 310.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82Vnt2tJSOr
Name MESTRANOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O2
InChI InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey IMSSROKUHAOUJS-MJCUULBUSA-N
Literature Reference Author M.I.CHOUDHARY,S.G.MUSHARRAF,Z.A.SIDDIQUI,N.T.KHAN,R.A.ALI,AT TA-UR-RAHMAN
Literature Reference Citation CHEM.PHARM.BULL.,53,1011(2005)
Literature Reference DOI 10.1248/cpb.53.1011
Molecular Weight 310.436 g/mol
Sample ID 54187
Solvent CDCl3