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11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-6-pentyl-1-propyl-
SpectraBase Compound ID 6caOx5ODJKB
InChI InChI=1S/C23H26O7/c1-4-6-7-9-15-20(22(25)26)16(24)12-18-21(15)29-17-11-14(28-3)10-13(8-5-2)19(17)23(27)30-18/h10-12,24H,4-9H2,1-3H3,(H,25,26)
InChIKey WNDKPNQEXXGRHP-UHFFFAOYSA-N
Mol Weight 414.45 g/mol
Molecular Formula C23H26O7
Exact Mass 414.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Glb7EFJkRfH
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-6-pentyl-1-propyl-
CAS Registry Number 103538-04-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O7
InChI InChI=1S/C23H26O7/c1-4-6-7-9-15-20(22(25)26)16(24)12-18-21(15)29-17-11-14(28-3)10-13(8-5-2)19(17)23(27)30-18/h10-12,24H,4-9H2,1-3H3,(H,25,26)
InChIKey WNDKPNQEXXGRHP-UHFFFAOYSA-N
Molecular Weight 414.454 g/mol
SMILES OC(c1c(cc2c(c1CCCCC)Oc1c(C(O2)=O)c(cc(c1)OC)CCC)O)=O
SPLASH splash10-03kc-0229600000-175e8a1db6ea5989dc24
Source of Spectrum B-40-1463-25
Synonyms 8-Hydroxy-3-methoxy-11-oxo-6-pentyl-1-propyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid 8-Hydroxy-3-methoxy-6-pentyl-1-propyl-11-oxo-1H-dibenzo[1,4]dioxepin-7-carboxylic acid Stenosporonic acid 3-Hydroxy-9-methoxy-6-oxo-1-pentyl-7-propyl-2-benzo[b][1,4]benzodioxepincarboxylic acid 3-Hydroxy-9-methoxy-6-oxo-1-pentyl-7-propylbenzo[b][1,4]benzodioxepine-2-carboxylic acid 3-Hydroxy-9-methoxy-6-oxo-1-pentyl-7-propyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid 9-Methoxy-3-oxidanyl-6-oxidanylidene-1-pentyl-7-propyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid
Wiley ID 1375404