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CYCLOBOTRYOXIDE;(1-S,5-R,6-S)-5-HYDROXY-3-METHOXY-4-METHYL-7-OXABICYCLO-[4.1.0]-HEPT-3-EN-2-ONE
SpectraBase Compound ID BHA2BGp4Esj
InChI InChI=1S/C8H10O4/c1-3-4(9)7-8(12-7)5(10)6(3)11-2/h4,7-9H,1-2H3/t4-,7+,8-/m1/s1
InChIKey SVONJANWQJOAHA-BTZDVCGTSA-N
Mol Weight 170.16 g/mol
Molecular Formula C8H10O4
Exact Mass 170.057909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ga0ke49xELi
Name CYCLOBOTRYOXIDE;(1-S,5-R,6-S)-5-HYDROXY-3-METHOXY-4-METHYL-7-OXABICYCLO-[4.1.0]-HEPT-3-EN-2-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H10O4
InChI InChI=1S/C8H10O4/c1-3-4(9)7-8(12-7)5(10)6(3)11-2/h4,7-9H,1-2H3/t4-,7+,8-/m1/s1
InChIKey SVONJANWQJOAHA-BTZDVCGTSA-N
Literature Reference Author A.ANDOLFI,L.MADDAU,A.CIMMINO,B.T.LINALDEDDU,A.FRANCESCHINI,S .SERRA,S.BASSO,D.MEL
Literature Reference Citation J.NAT.PROD.,75,1785(2012)
Literature Reference DOI 10.1021/np300512m
Molecular Weight 170.165 g/mol
Sample ID 41547
Solvent CDCl3