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2H,8H-Benzo[1,2-b:3,4-b']dipyran-8-one, 5-hydroxy-2,2-dimethyl-6-(2-methyl-1-oxobutyl)-10-pentyl-, (.+-.)-
SpectraBase Compound ID 3l5znvxgL2O
InChI InChI=1S/C24H30O5/c1-6-8-9-10-15-13-17(25)28-23-18(15)22-16(11-12-24(4,5)29-22)21(27)19(23)20(26)14(3)7-2/h11-14,27H,6-10H2,1-5H3
InChIKey TWWQTZPHBYLFIV-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfTsYYTlGMm
Name 2H,8H-Benzo[1,2-b:3,4-b']dipyran-8-one, 5-hydroxy-2,2-dimethyl-6-(2-methyl-1-oxobutyl)-10-pentyl-, (.+-.)-
CAS Registry Number 111761-45-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-6-8-9-10-15-13-17(25)28-23-18(15)22-16(11-12-24(4,5)29-22)21(27)19(23)20(26)14(3)7-2/h11-14,27H,6-10H2,1-5H3
InChIKey TWWQTZPHBYLFIV-UHFFFAOYSA-N
Molecular Weight 398.499 g/mol
SMILES Oc1c2c(OC(C=C2)(C)C)c2c(c1C(=O)C(CC)C)OC(C=C2CCCCC)=O
SPLASH splash10-001p-0009000000-9986f9c41fac6e58f01a
Source of Spectrum KC-1987-329-3
Synonyms 2,8-Dioxa-9,9-dimethyl-13-hydroxy-5-pentyl-14-(1-methylpropylcarbonyl)-tricyclo[4.8.0.0(2,12)]tetradeca-4,1(6),12(7),13-tetraen-3-one
Wiley ID 1368544