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MICROCYBIN;(REL)-(E)-1-(7-HYDROXY-8-METHOXYCOUMARIN-3-YL)-2-[1,4-BETA-DIMETHYL-2-ALPHA-(7-HYDROXY-8-METHOXYCOUMARIN-3-YL)-CYCLOHEX-1-EN-4-YL]-ETHENE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

MICROCYBIN;(REL)-(E)-1-(7-HYDROXY-8-METHOXYCOUMARIN-3-YL)-2-[1,4-BETA-DIMETHYL-2-ALPHA-(7-HYDROXY-8-METHOXYCOUMARIN-3-YL)-CYCLOHEX-1-EN-4-YL]-ETHENE
SpectraBase Compound ID 8E0EMEk5LDI
InChI InChI=1S/C30H28O8/c1-16-9-11-30(2,12-10-19-14-17-5-7-22(31)26(35-3)24(17)37-28(19)33)21(13-16)20-15-18-6-8-23(32)27(36-4)25(18)38-29(20)34/h5-8,10,12-15,21,31-32H,9,11H2,1-4H3/b12-10+/t21-,30+/m0/s1
InChIKey RNLPSNKUVOXFDH-XBNKHXIQSA-N
Mol Weight 516.55 g/mol
Molecular Formula C30H28O8
Exact Mass 516.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LsdgMB8w7N0
Name MICROCYBIN;(REL)-(E)-1-(7-HYDROXY-8-METHOXYCOUMARIN-3-YL)-2-[1,4-BETA-DIMETHYL-2-ALPHA-(7-HYDROXY-8-METHOXYCOUMARIN-3-YL)-CYCLOHEX-1-EN-4-YL]-ETHENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H28O8
InChI InChI=1S/C30H28O8/c1-16-9-11-30(2,12-10-19-14-17-5-7-22(31)26(35-3)24(17)37-28(19)33)21(13-16)20-15-18-6-8-23(32)27(36-4)25(18)38-29(20)34/h5-8,10,12-15,21,31-32H,9,11H2,1-4H3/b12-10+/t21-,30+/m0/s1
InChIKey RNLPSNKUVOXFDH-XBNKHXIQSA-N
Literature Reference Author C.M.HASAN,D.Y.KONG,A.I.GRAY,P.G.WATERMAN,J.A.ARMSTRONG
Literature Reference Citation J.NAT.PROD.,56,1839(1993)
Literature Reference DOI 10.1021/np50100a030
Molecular Weight 516.548 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS2829