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

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3-OCTYLOXY-ESTRA-1,3,5(10)-TRIEN-17-BETA-OL
SpectraBase Compound ID 7cr2ME3UYfn
InChI InChI=1S/C26H40O2/c1-3-4-5-6-7-8-17-28-20-10-12-21-19(18-20)9-11-23-22(21)15-16-26(2)24(23)13-14-25(26)27/h10,12,18,22-25,27H,3-9,11,13-17H2,1-2H3/t22-,23-,24+,25+,26+/m1/s1
InChIKey WSQSEDJYFHIVMO-JMTTVTNBSA-N
Mol Weight 384.6 g/mol
Molecular Formula C26H40O2
Exact Mass 384.302831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kpa3wEzo0yZ
Name 3-OCTYLOXY-ESTRA-1,3,5(10)-TRIEN-17-BETA-OL
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H40O2
InChI InChI=1S/C26H40O2/c1-3-4-5-6-7-8-17-28-20-10-12-21-19(18-20)9-11-23-22(21)15-16-26(2)24(23)13-14-25(26)27/h10,12,18,22-25,27H,3-9,11,13-17H2,1-2H3/t22-,23-,24+,25+,26+/m1/s1
InChIKey WSQSEDJYFHIVMO-JMTTVTNBSA-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 384.602 g/mol
Sample ID 44308
Solvent CHCl3