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REL-(7S,8S,1'R,4'S,5'S)-DELTA-(2',8')-4'-ACETOXY-3'-METHOXY-3,4-METHYLENEDIOXY-6'-OXO-8.1',7.5'-NEOLIGNAN
SpectraBase Compound ID sX9kCU3BMY
InChI InChI=1S/C22H24O6/c1-5-8-22-10-17(25-4)20(28-13(3)23)19(21(22)24)18(12(22)2)14-6-7-15-16(9-14)27-11-26-15/h5-7,9-10,12,18-20H,1,8,11H2,2-4H3/t12-,18+,19-,20+,22-/m0/s1
InChIKey PVGKVUFZPNSLCQ-OCQAZFPASA-N
Mol Weight 384.43 g/mol
Molecular Formula C22H24O6
Exact Mass 384.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1E3gJqpT4yB
Name REL-(7S,8S,1'R,4'S,5'S)-DELTA-(2',8')-4'-ACETOXY-3'-METHOXY-3,4-METHYLENEDIOXY-6'-OXO-8.1',7.5'-NEOLIGNAN
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24O6
InChI InChI=1S/C22H24O6/c1-5-8-22-10-17(25-4)20(28-13(3)23)19(21(22)24)18(12(22)2)14-6-7-15-16(9-14)27-11-26-15/h5-7,9-10,12,18-20H,1,8,11H2,2-4H3/t12-,18+,19-,20+,22-/m0/s1
InChIKey PVGKVUFZPNSLCQ-OCQAZFPASA-N
Literature Reference Author J.M.DAVID,M.YOSHIDA,O.R.GOTTLIEB
Literature Reference Citation PHYTOCHEM.,36,491(1994)
Literature Reference DOI 10.1016/S0031-9422(00)97102-4
Molecular Weight 384.429 g/mol
Solvent CDCl3
Source File Reference UWMS25265