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

*Links on SpectraBase are not permalinks.
4H,8H-Benzo[1,2-b:3,4-b']dipyran-4,8-dione, 2,3,9,10-tetrahydro-5-hydroxy-2,3-dimethyl-6-(3-methylbutyl)-10-pheny l-
SpectraBase Compound ID JIk0ypRRgvL
InChI InChI=1S/C25H28O5/c1-13(2)10-11-17-23(28)21-22(27)14(3)15(4)29-25(21)20-18(12-19(26)30-24(17)20)16-8-6-5-7-9-16/h5-9,13-15,18,28H,10-12H2,1-4H3
InChIKey NTOZHYMFSODVQB-UHFFFAOYSA-N
Mol Weight 408.49 g/mol
Molecular Formula C25H28O5
Exact Mass 408.193674 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 ECHUEDGeG7s
Name 4H,8H-Benzo[1,2-b:3,4-b']dipyran-4,8-dione, 2,3,9,10-tetrahydro-5-hydroxy-2,3-dimethyl-6-(3-methylbutyl)-10-pheny l-
CAS Registry Number 81559-57-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O5
InChI InChI=1S/C25H28O5/c1-13(2)10-11-17-23(28)21-22(27)14(3)15(4)29-25(21)20-18(12-19(26)30-24(17)20)16-8-6-5-7-9-16/h5-9,13-15,18,28H,10-12H2,1-4H3
InChIKey NTOZHYMFSODVQB-UHFFFAOYSA-N
Molecular Weight 408.494 g/mol
SMILES Oc1c2c(c3C(CC(Oc3c1CCC(C)C)=O)c1ccccc1)OC(C(C2=O)C)C
SPLASH splash10-0udj-0359200000-fee5293a2608fa69aaef
Source of Spectrum KC-1983-705-0
Synonyms 5-Hydroxy-6-isopentyl-2,3-dimethyl-10-phenyl-2,3,9,10-tetrahydro-4H,8H-pyrano[2,3-f]chromene-4,8-dione Calozeylanolactone
Wiley ID 1373094