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17-ALPHA-HYDROXY-3-METHOXY-14,17-BETA-PROP-17(2)-ENO-14-BETA-ESTRA-1,3,5(10)-TRIEN-17(1)-ONE
SpectraBase Compound ID DzQGYDCPccT
InChI InChI=1S/C22H26O3/c1-20-9-7-17-16-5-4-15(25-2)13-14(16)3-6-18(17)21(20)10-8-19(23)22(20,24)12-11-21/h4-5,8,10,13,17-18,24H,3,6-7,9,11-12H2,1-2H3/t17?,18?,20-,21+,22-/m0/s1
InChIKey CPRIQDFOFGHCMJ-ARKNQYIKSA-N
Mol Weight 338.45 g/mol
Molecular Formula C22H26O3
Exact Mass 338.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B33qqm3SvFH
Name 17-ALPHA-HYDROXY-3-METHOXY-14,17-BETA-PROP-17(2)-ENO-14-BETA-ESTRA-1,3,5(10)-TRIEN-17(1)-ONE
Compound Number 53
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O3
InChI InChI=1S/C22H26O3/c1-20-9-7-17-16-5-4-15(25-2)13-14(16)3-6-18(17)21(20)10-8-19(23)22(20,24)12-11-21/h4-5,8,10,13,17-18,24H,3,6-7,9,11-12H2,1-2H3/t17?,18?,20-,21+,22-/m0/s1
InChIKey CPRIQDFOFGHCMJ-ARKNQYIKSA-N
Literature Reference Author J.R.BULL,C.HOADLEY,P.G.MOUNTFORD,L.M.STEER
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1179(1997)
Literature Reference DOI 10.1039/a606242c
Molecular Weight 338.447 g/mol
Solvent CDCl3
Source File Reference UWRU9843