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, 8-hydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-
SpectraBase Compound ID DLPn8kJgRLA
InChI InChI=1S/C27H32O8/c1-4-6-8-10-17(28)12-16-13-18(33-3)14-21-23(16)27(32)35-22-15-20(29)24(26(30)31)19(25(22)34-21)11-9-7-5-2/h13-15,29H,4-12H2,1-3H3,(H,30,31)
InChIKey VFRGAVOQEJKXDU-UHFFFAOYSA-N
Mol Weight 484.5 g/mol
Molecular Formula C27H32O8
Exact Mass 484.209718 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 8iVrKM7df1Q
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-
CAS Registry Number 10142-72-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O8
InChI InChI=1S/C27H32O8/c1-4-6-8-10-17(28)12-16-13-18(33-3)14-21-23(16)27(32)35-22-15-20(29)24(26(30)31)19(25(22)34-21)11-9-7-5-2/h13-15,29H,4-12H2,1-3H3,(H,30,31)
InChIKey VFRGAVOQEJKXDU-UHFFFAOYSA-N
Molecular Weight 484.545 g/mol
SMILES OC(c1c(cc2c(c1CCCCC)Oc1c(C(O2)=O)c(cc(c1)OC)CC(=O)CCCCC)O)=O
SPLASH splash10-0006-7720900000-330856fed5e97da03493
Source of Spectrum B-28-856-0
Synonyms 4-O-methylphysodic acid 8-Hydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
Wiley ID 1396012