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METHYL-[3'R-(2A-ALPHA,3-ALPHA)-7-METHOXY-9-METHYL-1-OXO-3-(1'-OXOBUT-3'-YL)-2,2A,3,4,5,8-HEXAHYDRO-1H-BENZ-[CD]-AZULENE-3-CARBOXYLATE

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METHYL-[3'R-(2A-ALPHA,3-ALPHA)-7-METHOXY-9-METHYL-1-OXO-3-(1'-OXOBUT-3'-YL)-2,2A,3,4,5,8-HEXAHYDRO-1H-BENZ-[CD]-AZULENE-3-CARBOXYLATE
SpectraBase Compound ID JtHYFwSRsMc
InChI InChI=1S/C21H26O5/c1-12-9-15(25-3)10-14-5-7-21(20(24)26-4,13(2)6-8-22)16-11-17(23)18(12)19(14)16/h8,10,13,16H,5-7,9,11H2,1-4H3
InChIKey STDUAWLZSOLQDD-UHFFFAOYSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1TwiIupWp8I
Name METHYL-[3'R-(2A-ALPHA,3-ALPHA)-7-METHOXY-9-METHYL-1-OXO-3-(1'-OXOBUT-3'-YL)-2,2A,3,4,5,8-HEXAHYDRO-1H-BENZ-[CD]-AZULENE-3-CARBOXYLATE
Compound Number 42
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-12-9-15(25-3)10-14-5-7-21(20(24)26-4,13(2)6-8-22)16-11-17(23)18(12)19(14)16/h8,10,13,16H,5-7,9,11H2,1-4H3
InChIKey STDUAWLZSOLQDD-UHFFFAOYSA-N
Literature Reference Author D.H.ROGERS,B.FREY,F.S.RODEN,F.W.RUSSKAMP,A.C.WILLIS,L.N.MAND ER
Literature Reference Citation AUSTR.J.CHEM.,52,1093(1999)
Literature Reference DOI 10.1071/CH99093
Molecular Weight 358.434 g/mol
Solvent Unknown
Source File Reference UWRU5358