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MONAPURONE-B;(6AR,8S,9AR)-8-METHOXY-6A-METHYL-8-PENTYL-3-[(E)-PROP-1-ENYL]-6A,8,9,9A-TETRAHYDRO-6H-FURO-[2,3-H]-ISOCHROMEN-6-ONE

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MONAPURONE-B;(6AR,8S,9AR)-8-METHOXY-6A-METHYL-8-PENTYL-3-[(E)-PROP-1-ENYL]-6A,8,9,9A-TETRAHYDRO-6H-FURO-[2,3-H]-ISOCHROMEN-6-ONE
SpectraBase Compound ID vUjiuqZaX9
InChI InChI=1S/C21H28O4/c1-5-7-8-10-21(23-4)13-18-17-14-24-16(9-6-2)11-15(17)12-19(22)20(18,3)25-21/h6,9,11-12,14,18H,5,7-8,10,13H2,1-4H3/b9-6+/t18-,20-,21+/m1/s1
InChIKey HDEPPKKHVHQOFH-BPMHHNNYSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DoTaUGGKgPS
Name MONAPURONE-B;(6AR,8S,9AR)-8-METHOXY-6A-METHYL-8-PENTYL-3-[(E)-PROP-1-ENYL]-6A,8,9,9A-TETRAHYDRO-6H-FURO-[2,3-H]-ISOCHROMEN-6-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-5-7-8-10-21(23-4)13-18-17-14-24-16(9-6-2)11-15(17)12-19(22)20(18,3)25-21/h6,9,11-12,14,18H,5,7-8,10,13H2,1-4H3/b9-6+/t18-,20-,21+/m1/s1
InChIKey HDEPPKKHVHQOFH-BPMHHNNYSA-N
Literature Reference Author J.J.LI,X.Y.SHANG,L.L.LI,M.T.LIU,J.Q.ZHENG,Z.L.JIN
Literature Reference Citation MOLECULES,15,1958(2010)
Literature Reference DOI 10.3390/molecules15031958
Molecular Weight 344.451 g/mol
Sample ID 70194
Solvent CDCl3