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

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METHYL-[3'R-(2A-ALPHA,3-ALPHA)]-3-(1',1'-DIMETHOXYBUT-3'-YL)-7-METHOXY-9-METHYL-1-OXO-2,2A,3,4,5,8-HEXAHYDRO-1H-BENZ-[CD]-AZULEN-3-CARBOXYLATE
SpectraBase Compound ID 8Wjp2o96rTN
InChI InChI=1S/C23H32O6/c1-13-9-16(26-3)11-15-7-8-23(22(25)29-6,14(2)10-19(27-4)28-5)17-12-18(24)20(13)21(15)17/h11,14,17,19H,7-10,12H2,1-6H3
InChIKey SURJYJCQJRTJFJ-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C23H32O6
Exact Mass 404.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZaaC9sHIj1
Name METHYL-[3'R-(2A-ALPHA,3-ALPHA)]-3-(1',1'-DIMETHOXYBUT-3'-YL)-7-METHOXY-9-METHYL-1-OXO-2,2A,3,4,5,8-HEXAHYDRO-1H-BENZ-[CD]-AZULEN-3-CARBOXYLATE
Compound Number 40
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H32O6
InChI InChI=1S/C23H32O6/c1-13-9-16(26-3)11-15-7-8-23(22(25)29-6,14(2)10-19(27-4)28-5)17-12-18(24)20(13)21(15)17/h11,14,17,19H,7-10,12H2,1-6H3
InChIKey SURJYJCQJRTJFJ-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 404.503 g/mol
Solvent Unknown
Source File Reference UWRU5356