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2''',5'''-DIEPISILVESTROL

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2''',5'''-DIEPISILVESTROL
SpectraBase Compound ID Dty3DNhNru0
InChI InChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25+,26+,27+,29+,31-,32+,33-,34-/m0/s1
InChIKey GVKXFVCXBFGBCD-CABMIHONSA-N
Mol Weight 654.7 g/mol
Molecular Formula C34H38O13
Exact Mass 654.231241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tJ7ICYwA30
Name 2''',5'''-DIEPISILVESTROL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H38O13
InChI InChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25+,26+,27+,29+,31-,32+,33-,34-/m0/s1
InChIKey GVKXFVCXBFGBCD-CABMIHONSA-N
Literature Reference Author L.PAN,L.B.S.KARDONO,S.RISWAN,H.CHAI,E.J.C.DEBLANCO,C.M.PANNE LL,D.D.SOEJARTO,T.G.
Literature Reference Citation J.NAT.PROD.,73,1873(2010)
Literature Reference DOI 10.1021/np100503q
Molecular Weight 654.668 g/mol
Sample ID 37036
Solvent CDCl3