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Lobaric acid
SpectraBase Compound ID ANVJTpGWAx1
InChI InChI=1S/C25H28O8/c1-4-6-8-9-15-21(24(28)29)18(27)13-20-23(15)32-19-12-14(31-3)11-16(17(26)10-7-5-2)22(19)25(30)33-20/h11-13,27H,4-10H2,1-3H3,(H,28,29)
InChIKey JHEWMLHQNRHTQX-UHFFFAOYSA-N
Mol Weight 456.49 g/mol
Molecular Formula C25H28O8
Exact Mass 456.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCRx1OfV9ek
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1-(1-oxopentyl)-6-pentyl-
Alternate Name(s) 8-Hydroxy-3-methoxy-11-oxo-1-pentanoyl-6-pentyl-11H-dibenzo[b,E][1,4]dioxepine-7-carboxylic acid 1-Amyl-3-hydroxy-6-keto-9-methoxy-7-valeryl-benzo[b][1,4]benzodioxepin-2-carboxylic acid 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-6-pentyl-1-valeryl- 3-Hydroxy-9-methoxy-6-oxo-7-(1-oxopentyl)-1-pentyl-2-benzo[b][1,4]benzodioxepincarboxylic acid 3-Hydroxy-9-methoxy-6-oxo-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid 9-Methoxy-3-oxidanyl-6-oxidanylidene-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid Lobaric acid Lobraric acid Stereocaulic acid
CAS Registry Number 522-53-2
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Formula C25H28O8
InChI InChI=1S/C25H28O8/c1-4-6-8-9-15-21(24(28)29)18(27)13-20-23(15)32-19-12-14(31-3)11-16(17(26)10-7-5-2)22(19)25(30)33-20/h11-13,27H,4-10H2,1-3H3,(H,28,29)
InChIKey JHEWMLHQNRHTQX-UHFFFAOYSA-N
Molecular Weight 456.491 g/mol
SMILES Oc1cc2OC(c3c(Oc2c(c1C(=O)O)CCCCC)cc(cc3C(=O)CCCC)OC)=O
SPLASH splash10-01ox-8944600000-d5aa41c132a82f3dd57d
Source of Spectrum SD-1981-0-0
Wiley ID 1389271