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MONAPURONE-A;(7R,8R)-7-HYDROXY-7-METHYL-8-(2-OXOHEPTYL)-3-[(E)-PROP-1-ENYL]-7,8-DIHYDRO-6H-ISOCHROMEN-6-ONE
SpectraBase Compound ID 3MRQK2Crwup
InChI InChI=1S/C20H26O4/c1-4-6-7-9-15(21)12-18-17-13-24-16(8-5-2)10-14(17)11-19(22)20(18,3)23/h5,8,10-11,13,18,23H,4,6-7,9,12H2,1-3H3/b8-5+/t18-,20-/m1/s1
InChIKey SYGLEMBXPNRULF-QEMYPZFLSA-N
Mol Weight 330.42 g/mol
Molecular Formula C20H26O4
Exact Mass 330.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EOPA8hQgKh8
Name MONAPURONE-A;(7R,8R)-7-HYDROXY-7-METHYL-8-(2-OXOHEPTYL)-3-[(E)-PROP-1-ENYL]-7,8-DIHYDRO-6H-ISOCHROMEN-6-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O4
InChI InChI=1S/C20H26O4/c1-4-6-7-9-15(21)12-18-17-13-24-16(8-5-2)10-14(17)11-19(22)20(18,3)23/h5,8,10-11,13,18,23H,4,6-7,9,12H2,1-3H3/b8-5+/t18-,20-/m1/s1
InChIKey SYGLEMBXPNRULF-QEMYPZFLSA-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 330.424 g/mol
Sample ID 70193
Solvent CDCl3