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11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1-(1-oxopentyl)-6-propyl-, methyl ester
SpectraBase Compound ID 2p6dmIPrIeO
InChI InChI=1S/C23H24O8/c1-4-6-8-15(25)14-9-12(24)10-17-20(14)23(28)31-18-11-16(26)19(22(27)29-3)13(7-5-2)21(18)30-17/h9-11,24,26H,4-8H2,1-3H3
InChIKey SOEFSTZBAXIYMW-UHFFFAOYSA-N
Mol Weight 428.44 g/mol
Molecular Formula C23H24O8
Exact Mass 428.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 561wSSuLf49
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1-(1-oxopentyl)-6-propyl-, methyl ester
Alternate Name(s) Conloxodin Methyl 3,8-dihydroxy-11-oxo-1-pentanoyl-6-propyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate Methyl 3,8-dihydroxy-11-oxo-1-pentaoyl-6-propyl-1H-dibenzo[b,e][1,4]dioxepin-7-carboxylate
CAS Registry Number 71521-81-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24O8
InChI InChI=1S/C23H24O8/c1-4-6-8-15(25)14-9-12(24)10-17-20(14)23(28)31-18-11-16(26)19(22(27)29-3)13(7-5-2)21(18)30-17/h9-11,24,26H,4-8H2,1-3H3
InChIKey SOEFSTZBAXIYMW-UHFFFAOYSA-N
Molecular Weight 428.437 g/mol
SMILES Oc1cc2OC(c3c(cc(cc3Oc2c(c1C(=O)OC)CCC)O)C(=O)CCCC)=O
SPLASH splash10-00ba-0019600000-d38b858c232962f7872e
Source of Spectrum B-32-929-0
Wiley ID 1380668