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1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dimethoxy-3-methyl-, [S-(E)]-
SpectraBase Compound ID 2Xap9zyPnAx
InChI InChI=1S/C20H26O5/c1-14-8-7-11-16(21)10-6-4-5-9-15-12-17(23-2)13-18(24-3)19(15)20(22)25-14/h5,9,12-14H,4,6-8,10-11H2,1-3H3/b9-5+
InChIKey MYILAUURZUNHGP-WEVVVXLNSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K29SJ8vyqWX
Name 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dimethoxy-3-methyl-, [S-(E)]-
Alternate Name(s) 14,16-Dimethoxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione (2E)-15,17-dimethoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione (2E)-15,17-dimethoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-quinone
CAS Registry Number 10497-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-14-8-7-11-16(21)10-6-4-5-9-15-12-17(23-2)13-18(24-3)19(15)20(22)25-14/h5,9,12-14H,4,6-8,10-11H2,1-3H3/b9-5+
InChIKey MYILAUURZUNHGP-WEVVVXLNSA-N
Molecular Weight 346.423 g/mol
SMILES COc1cc2c(C(=O)OC(C)CCCC(=O)CCC\C=C\2)c(OC)c1
SPLASH splash10-0ldu-4930000000-61ae7ee9635b12e5164a
Source of Spectrum W5-30618-0-0
Wiley ID 1339348