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17-BETA-PROPOXY-ESTRA-1,3,5(10)-TRIEN-3-OL

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17-BETA-PROPOXY-ESTRA-1,3,5(10)-TRIEN-3-OL
SpectraBase Compound ID Dt6R2RicokO
InChI InChI=1S/C21H30O2/c1-3-12-23-20-9-8-19-18-6-4-14-13-15(22)5-7-16(14)17(18)10-11-21(19,20)2/h5,7,13,17-20,22H,3-4,6,8-12H2,1-2H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey PJNGACACDSACOC-MJCUULBUSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GylqCsRti0m
Name 17-BETA-PROPOXY-ESTRA-1,3,5(10)-TRIEN-3-OL
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-3-12-23-20-9-8-19-18-6-4-14-13-15(22)5-7-16(14)17(18)10-11-21(19,20)2/h5,7,13,17-20,22H,3-4,6,8-12H2,1-2H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey PJNGACACDSACOC-MJCUULBUSA-N
Literature Reference Author L.PROKAI,S.M.OON,K.PROKAI-TATRAI,K.A.ABBOUD,J.W.SIMPKINS
Literature Reference Citation J.MED.CHEM.,44,110(2001)
Literature Reference DOI 10.1021/jm000280t
Molecular Weight 314.468 g/mol
Sample ID 44304
Solvent CHCl3