For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4,8-dihydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-
SpectraBase Compound ID Hw5UZ6IpYpL
InChI InChI=1S/C27H32O9/c1-4-6-8-10-16(28)12-15-13-19(34-3)23(30)25-21(15)27(33)35-20-14-18(29)22(26(31)32)17(24(20)36-25)11-9-7-5-2/h13-14,29-30H,4-12H2,1-3H3,(H,31,32)
InChIKey YFNNJORBJZUGCV-UHFFFAOYSA-N
Mol Weight 500.5 g/mol
Molecular Formula C27H32O9
Exact Mass 500.204633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BUgMx0rU3UQ
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4,8-dihydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-
CAS Registry Number 58887-73-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O9
InChI InChI=1S/C27H32O9/c1-4-6-8-10-16(28)12-15-13-19(34-3)23(30)25-21(15)27(33)35-20-14-18(29)22(26(31)32)17(24(20)36-25)11-9-7-5-2/h13-14,29-30H,4-12H2,1-3H3,(H,31,32)
InChIKey YFNNJORBJZUGCV-UHFFFAOYSA-N
Molecular Weight 500.544 g/mol
SMILES OC(c1c(cc2OC(c3c(c(c(cc3CC(=O)CCCCC)OC)O)Oc2c1CCCCC)=O)O)=O
SPLASH splash10-00dl-6960000000-2d588ac4e0c6a857cd4d
Source of Spectrum B-29-206-0
Synonyms 4,8-Dihydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid Lividic acid 3,10-dihydroxy-9-methoxy-6-oxo-7-(2-oxoheptyl)-1-pentyl-2-benzo[b][1,4]benzodioxepincarboxylic acid 3,10-dihydroxy-9-methoxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid 3,10-dihydroxy-9-methoxy-6-oxo-7-(2-oxoheptyl)-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid 9-Methoxy-3,10-bis(oxidanyl)-6-oxidanylidene-7-(2-oxidanylideneheptyl)-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid
Wiley ID 1398862