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17-ALPHA-ETHYNYL-5-ALPHA,17-BETA-DIHYDROXY-ESTR-3-ENE
SpectraBase Compound ID 6572QYP2Ak2
InChI InChI=1S/C20H28O2/c1-3-20(22)13-9-16-14-8-12-19(21)10-5-4-6-17(19)15(14)7-11-18(16,20)2/h1,5,10,14-17,21-22H,4,6-9,11-13H2,2H3/t14-,15+,16+,17-,18+,19+,20+/m1/s1
InChIKey RQJLJKRVSNAQGM-GRLHSABHSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F7sV9oq9hfx
Name 17-ALPHA-ETHYNYL-5-ALPHA,17-BETA-DIHYDROXY-ESTR-3-ENE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-3-20(22)13-9-16-14-8-12-19(21)10-5-4-6-17(19)15(14)7-11-18(16,20)2/h1,5,10,14-17,21-22H,4,6-9,11-13H2,2H3/t14-,15+,16+,17-,18+,19+,20+/m1/s1
InChIKey RQJLJKRVSNAQGM-GRLHSABHSA-N
Literature Reference Author S.ZAFAR,S.YOUSUF,H.A.KAYANI,S.SAIFULLAH,S.KHAN,A.M.AL-MAJID, M.I.CHOUDHARY
Literature Reference Citation CHEM.CENTR.J.,6,109,1(2012)
Molecular Weight 300.441 g/mol
Solvent CDCl3
Source File Reference UWIR11717