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ACETYL-EHRENBEROXIDE-B;(7R*,8S*,11S*,12R*,1Z,3E)-8-ACETOXY-11-HYDROXY-7,12-EPOXY-CEMBRA-1(2),3-DIENE
SpectraBase Compound ID fBAbYIYZPC
InChI InChI=1S/C22H36O4/c1-15(2)18-9-7-16(3)8-10-20-22(6,25-17(4)23)14-12-19(24)21(5,26-20)13-11-18/h7,9,15,19-20,24H,8,10-14H2,1-6H3/b16-7+,18-9+/t19-,20+,21+,22-/m0/s1
InChIKey FMVZGYMVZQDYSU-QWBRPRJSSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LuLVywkVvdq
Name ACETYL-EHRENBEROXIDE-B;(7R*,8S*,11S*,12R*,1Z,3E)-8-ACETOXY-11-HYDROXY-7,12-EPOXY-CEMBRA-1(2),3-DIENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-15(2)18-9-7-16(3)8-10-20-22(6,25-17(4)23)14-12-19(24)21(5,26-20)13-11-18/h7,9,15,19-20,24H,8,10-14H2,1-6H3/b16-7+,18-9+/t19-,20+,21+,22-/m0/s1
InChIKey FMVZGYMVZQDYSU-QWBRPRJSSA-N
Literature Reference Author S.K.WANG,M.K.HSIEH,C.Y.DUH
Literature Reference Citation MAR.DRUGS,11,4318(2013)
Literature Reference DOI 10.3390/md11114318
Molecular Weight 364.525 g/mol
Source File Reference UWBT6492