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

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17-BETA-BUTOXY-ESTRA-1,3,5(10)-TRIEN-3-OL
SpectraBase Compound ID Njqy7boQ4Y
InChI InChI=1S/C22H32O2/c1-3-4-13-24-21-10-9-20-19-7-5-15-14-16(23)6-8-17(15)18(19)11-12-22(20,21)2/h6,8,14,18-21,23H,3-5,7,9-13H2,1-2H3/t18-,19-,20+,21+,22+/m1/s1
InChIKey LWWBVLTYABFIPB-AANPDWTMSA-N
Mol Weight 328.5 g/mol
Molecular Formula C22H32O2
Exact Mass 328.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5JXkvuJvfEt
Name 17-BETA-BUTOXY-ESTRA-1,3,5(10)-TRIEN-3-OL
Compound Number 4 D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O2
InChI InChI=1S/C22H32O2/c1-3-4-13-24-21-10-9-20-19-7-5-15-14-16(23)6-8-17(15)18(19)11-12-22(20,21)2/h6,8,14,18-21,23H,3-5,7,9-13H2,1-2H3/t18-,19-,20+,21+,22+/m1/s1
InChIKey LWWBVLTYABFIPB-AANPDWTMSA-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 328.495 g/mol
Sample ID 44305
Solvent CHCl3