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

*Links on SpectraBase are not permalinks.
decarboxyalectoronic acid
SpectraBase Compound ID 3KxchCgfGmY
InChI InChI=1S/C27H32O7/c1-3-5-7-9-19(28)11-17-12-21(30)15-23-25(17)27(32)34-24-16-22(31)14-18(26(24)33-23)13-20(29)10-8-6-4-2/h12,14-16,30-31H,3-11,13H2,1-2H3
InChIKey HMZRAYILENWXEP-UHFFFAOYSA-N
Mol Weight 468.5 g/mol
Molecular Formula C27H32O7
Exact Mass 468.214803 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 69umG4VYlCr
Name decarboxyalectoronic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O7
InChI InChI=1S/C27H32O7/c1-3-5-7-9-19(28)11-17-12-21(30)15-23-25(17)27(32)34-24-16-22(31)14-18(26(24)33-23)13-20(29)10-8-6-4-2/h12,14-16,30-31H,3-11,13H2,1-2H3
InChIKey HMZRAYILENWXEP-UHFFFAOYSA-N
Molecular Weight 468.546 g/mol
SMILES Oc1cc(c2c(OC(c3c(cc(cc3O2)O)CC(=O)CCCCC)=O)c1)CC(=O)CCCCC
SPLASH splash10-00xr-0009500000-8f03e02e3a8b85e0dc12
Source of Spectrum JA-49-1175-0
Synonyms 3,8-Dihydroxy-1,6-bis(2-oxoheptyl)-11H-dibenzo[b,e][1,4]dioxepin-11-one
Wiley ID 1392436