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DEHYDROISOPENICILLIDE;11-HYDROXY-3-(TRANS-3-HYDROXY-3-METHYL-1-BUTENYL)-4-METHOXY-9-METHYL-5H,7H-DIBENZO-[B,G]-[1,5]-DIOXOCIN-5-ONE
SpectraBase Compound ID qOErehQ9PF
InChI InChI=1S/C21H22O6/c1-12-9-14-11-26-20(23)17-16(27-18(14)15(22)10-12)6-5-13(19(17)25-4)7-8-21(2,3)24/h5-10,22,24H,11H2,1-4H3/b8-7+
InChIKey CDCIKAPGWWMGGE-BQYQJAHWSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IMdrIirzrBB
Name DEHYDROISOPENICILLIDE;11-HYDROXY-3-(TRANS-3-HYDROXY-3-METHYL-1-BUTENYL)-4-METHOXY-9-METHYL-5H,7H-DIBENZO-[B,G]-[1,5]-DIOXOCIN-5-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-12-9-14-11-26-20(23)17-16(27-18(14)15(22)10-12)6-5-13(19(17)25-4)7-8-21(2,3)24/h5-10,22,24H,11H2,1-4H3/b8-7+
InChIKey CDCIKAPGWWMGGE-BQYQJAHWSA-N
Literature Reference Author K.SIZUKI,K.NOZAWA,S.I.UDAGAWA,S.NAKAJIMA,K.I.KAWAI
Literature Reference Citation PHYTOCHEM.,30,2096(1991)
Literature Reference DOI 10.1016/0031-9422(91)85080-J
Molecular Weight 370.402 g/mol
Solvent CDCl3
Source File Reference UWLU34406