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ENT-8,9-SECO-7-ALPHA-HYDROXY-17-THIOPHENYLKAUR-8(14)-EN-9,15-DIONE
SpectraBase Compound ID 8hha0c1kCzo
InChI InChI=1S/C26H34O3S/c1-25(2)12-7-13-26(3)22(25)15-21(27)19-14-17(10-11-23(26)28)20(24(19)29)16-30-18-8-5-4-6-9-18/h4-6,8-9,14,17,20-22,27H,7,10-13,15-16H2,1-3H3/t17-,20-,21-,22-,26-/m1/s1
InChIKey ZGAZLDOAFMUNOH-HVCRYRDYSA-N
Mol Weight 426.6 g/mol
Molecular Formula C26H34O3S
Exact Mass 426.222866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JhE3jMZuIIv
Name ENT-8,9-SECO-7-ALPHA-HYDROXY-17-THIOPHENYLKAUR-8(14)-EN-9,15-DIONE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H34O3S
InChI InChI=1S/C26H34O3S/c1-25(2)12-7-13-26(3)22(25)15-21(27)19-14-17(10-11-23(26)28)20(24(19)29)16-30-18-8-5-4-6-9-18/h4-6,8-9,14,17,20-22,27H,7,10-13,15-16H2,1-3H3/t17-,20-,21-,22-,26-/m1/s1
InChIKey ZGAZLDOAFMUNOH-HVCRYRDYSA-N
Literature Reference Author N.B.PERRY,E.J.BURGESS,S.H.BAEK,R.T.WEAVERS,W.GEIS,A.B.MAUGER
Literature Reference Citation PHYTOCHEM.,50,423(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00602-5
Molecular Weight 426.614 g/mol
Solvent CDCl3
Source File Reference UWVN11226