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17-BETA-HEXYLOXY-ESTRA-1,3,5(10)-TRIEN-3-OL
SpectraBase Compound ID 5qiD517PSvx
InChI InChI=1S/C24H36O2/c1-3-4-5-6-15-26-23-12-11-22-21-9-7-17-16-18(25)8-10-19(17)20(21)13-14-24(22,23)2/h8,10,16,20-23,25H,3-7,9,11-15H2,1-2H3/t20-,21-,22+,23+,24+/m1/s1
InChIKey HDGVLKQJHIMTIK-DJCPXJLLSA-N
Mol Weight 356.6 g/mol
Molecular Formula C24H36O2
Exact Mass 356.27153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7l1nWFGznnd
Name 17-BETA-HEXYLOXY-ESTRA-1,3,5(10)-TRIEN-3-OL
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H36O2
InChI InChI=1S/C24H36O2/c1-3-4-5-6-15-26-23-12-11-22-21-9-7-17-16-18(25)8-10-19(17)20(21)13-14-24(22,23)2/h8,10,16,20-23,25H,3-7,9,11-15H2,1-2H3/t20-,21-,22+,23+,24+/m1/s1
InChIKey HDGVLKQJHIMTIK-DJCPXJLLSA-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 356.549 g/mol
Sample ID 44306
Solvent CHCl3