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TEUMASSILENIN_C;(12S)-4-ALPHA,19;15,16-DIEPOXYNEOClERODA-13-(16),14-DIENE-6-ALPHA,12,18-TRIOL

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TEUMASSILENIN_C;(12S)-4-ALPHA,19;15,16-DIEPOXYNEOClERODA-13-(16),14-DIENE-6-ALPHA,12,18-TRIOL
SpectraBase Compound ID IwKb9IhJrzc
InChI InChI=1S/C20H30O5/c1-13-8-17(23)20-12-25-19(20,11-21)6-3-4-16(20)18(13,2)9-15(22)14-5-7-24-10-14/h5,7,10,13,15-17,21-23H,3-4,6,8-9,11-12H2,1-2H3/t13-,15-,16-,17+,18+,19+,20+/m1/s1
InChIKey QTKUKPZFMJWCPE-KVAAXBNISA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTShZE7atTY
Name TEUMASSILENIN_C;(12S)-4-ALPHA,19;15,16-DIEPOXYNEOClERODA-13-(16),14-DIENE-6-ALPHA,12,18-TRIOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-13-8-17(23)20-12-25-19(20,11-21)6-3-4-16(20)18(13,2)9-15(22)14-5-7-24-10-14/h5,7,10,13,15-17,21-23H,3-4,6,8-9,11-12H2,1-2H3/t13-,15-,16-,17+,18+,19+,20+/m1/s1
InChIKey QTKUKPZFMJWCPE-KVAAXBNISA-N
Literature Reference Author G.FONTANA,M.P.PATERNOSTRO,G.SAVONA,B.RODRIGUEZ,M.C.DELATORRE
Literature Reference Citation J.NAT.PROD.,61,1242(1998)
Literature Reference DOI 10.1021/np980137r
Molecular Weight 350.455 g/mol
Solvent CDCl3
Source File Reference UWMZ1266