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(1S,3S)-3-heptyl-1,6,8-trimethoxy-isochroman-7-carboxylic acid methyl ester
SpectraBase Compound ID B0c90QgTuGW
InChI InChI=1S/C21H32O6/c1-6-7-8-9-10-11-15-12-14-13-16(23-2)18(20(22)25-4)19(24-3)17(14)21(26-5)27-15/h13,15,21H,6-12H2,1-5H3/t15-,21-/m0/s1
InChIKey LBGYZTCEQMMSRP-BTYIYWSLSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O6
Exact Mass 380.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvHsX1Tjjjh
Name (1S,3S)-3-heptyl-1,6,8-trimethoxy-isochroman-7-carboxylic acid methyl ester
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O6
InChI InChI=1S/C21H32O6/c1-6-7-8-9-10-11-15-12-14-13-16(23-2)18(20(22)25-4)19(24-3)17(14)21(26-5)27-15/h13,15,21H,6-12H2,1-5H3/t15-,21-/m0/s1
InChIKey LBGYZTCEQMMSRP-BTYIYWSLSA-N
Literature Reference Author T.INAGAKI,K.KANEDA,Y.SUZUKI,H.HIRAI,E.NOMURA,T.SAKIKIBARA,Y. YAMAUCHI,L.H.HUANG,M
Literature Reference Citation J.ANTIBIOTICS,51,112(1998)
Literature Reference DOI 10.7164/antibiotics.51.112
Molecular Weight 380.481 g/mol
Solvent CDCl3
Source File Reference UWGE1714