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11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4,8-dihydroxy-3-methoxy-11-oxo-1,6-dipentyl-
SpectraBase Compound ID KyrFfAuE40Q
InChI InChI=1S/C25H30O8/c1-4-6-8-10-14-12-17(31-3)21(27)23-19(14)25(30)32-18-13-16(26)20(24(28)29)15(22(18)33-23)11-9-7-5-2/h12-13,26-27H,4-11H2,1-3H3,(H,28,29)
InChIKey VZPSCITXDMDLDC-UHFFFAOYSA-N
Mol Weight 458.51 g/mol
Molecular Formula C25H30O8
Exact Mass 458.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KWWnzh7VA
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4,8-dihydroxy-3-methoxy-11-oxo-1,6-dipentyl-
CAS Registry Number 63529-35-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30O8
InChI InChI=1S/C25H30O8/c1-4-6-8-10-14-12-17(31-3)21(27)23-19(14)25(30)32-18-13-16(26)20(24(28)29)15(22(18)33-23)11-9-7-5-2/h12-13,26-27H,4-11H2,1-3H3,(H,28,29)
InChIKey VZPSCITXDMDLDC-UHFFFAOYSA-N
Molecular Weight 458.507 g/mol
SMILES OC(c1c(cc2OC(c3c(c(c(cc3CCCCC)OC)O)Oc2c1CCCCC)=O)O)=O
SPLASH splash10-052u-0039700000-7557f052820a1344966b
Source of Spectrum B-30-603-0
Synonyms 4,8-Dihydroxy-3-methoxy-11-oxo-1,6-dipentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid 3,10-dihydroxy-9-methoxy-6-oxo-1,7-dipentyl-2-benzo[b][1,4]benzodioxepincarboxylic acid 3,10-dihydroxy-9-methoxy-6-oxo-1,7-dipentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid 3,10-dihydroxy-9-methoxy-6-oxo-1,7-dipentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid 9-Methoxy-3,10-bis(oxidanyl)-6-oxidanylidene-1,7-dipentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid
Wiley ID 1389862