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#14;(5-E)-(2-S,2A-R,6-S,7A-S,7B-S,8-R,9-S)-7B-(1-E)-1-PHENYLTHIOMETHYLHEXAHYDRO-9-METHYL-4-H-2,2,6-(EPOXY-[1]-PROPANYL-[3]-YLIDENE)-FURO-[2,3,4-GH]-PYROLIZIN-1

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#14;(5-E)-(2-S,2A-R,6-S,7A-S,7B-S,8-R,9-S)-7B-(1-E)-1-PHENYLTHIOMETHYLHEXAHYDRO-9-METHYL-4-H-2,2,6-(EPOXY-[1]-PROPANYL-[3]-YLIDENE)-FURO-[2,3,4-GH]-PYROLIZIN-1
SpectraBase Compound ID 6rr0lrXRMeB
InChI InChI=1S/C25H27NO5S/c1-13-19-16-11-18-24(12-32-15-7-5-4-6-8-15)17(9-10-26(16)24)25(19,30-18)31-21(13)22-20(28-3)14(2)23(27)29-22/h4-8,13,16-19H,9-12H2,1-3H3/b22-21+/t13-,16-,17+,18+,19+,24-,25+/m0/s1
InChIKey LKLQYQNQZLYERH-HXPOJAANSA-N
Mol Weight 453.55 g/mol
Molecular Formula C25H27NO5S
Exact Mass 453.160994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Tc5g0dHlCc
Name #14;(5-E)-(2-S,2A-R,6-S,7A-S,7B-S,8-R,9-S)-7B-(1-E)-1-PHENYLTHIOMETHYLHEXAHYDRO-9-METHYL-4-H-2,2,6-(EPOXY-[1]-PROPANYL-[3]-YLIDENE)-FURO-[2,3,4-GH]-PYROLIZIN-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H27NO5S
InChI InChI=1S/C25H27NO5S/c1-13-19-16-11-18-24(12-32-15-7-5-4-6-8-15)17(9-10-26(16)24)25(19,30-18)31-21(13)22-20(28-3)14(2)23(27)29-22/h4-8,13,16-19H,9-12H2,1-3H3/b22-21+/t13-,16-,17+,18+,19+,24-,25+/m0/s1
InChIKey LKLQYQNQZLYERH-HXPOJAANSA-N
Literature Reference Author M.C.BAIRD,S.G.PYNE,A.T.UNG,W.LIE,T.SASTRARUJI,A.JATISATIENR, C.JATISATIENR,S.DHEE
Literature Reference Citation J.NAT.PROD.,72,679(2009)
Literature Reference DOI 10.1021/np800806b
Molecular Weight 453.553 g/mol
Sample ID 32433
Solvent CDCl3