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2H-1-Benzopyran-2,5(6H)-dione, 6,6-bis(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-8-(2-methyl-1-oxobutyl)-4-propyl-, (E,E)-(.+-.)-
SpectraBase Compound ID CDr32yEWNse
InChI InChI=1S/C37H52O5/c1-10-14-29-23-30(38)42-34-31(29)35(40)37(21-19-26(7)17-12-15-24(3)4,22-20-27(8)18-13-16-25(5)6)36(41)32(34)33(39)28(9)11-2/h15-16,19-20,23,28,41H,10-14,17-18,21-22H2,1-9H3/b26-19+,27-20+
InChIKey NADASPUWCVQKKV-VCNVVWDHSA-N
Mol Weight 576.8 g/mol
Molecular Formula C37H52O5
Exact Mass 576.381475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRohf4BLUxr
Name 2H-1-Benzopyran-2,5(6H)-dione, 6,6-bis(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-8-(2-methyl-1-oxobutyl)-4-propyl-, (E,E)-(.+-.)-
CAS Registry Number 98216-07-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H52O5
InChI InChI=1S/C37H52O5/c1-10-14-29-23-30(38)42-34-31(29)35(40)37(21-19-26(7)17-12-15-24(3)4,22-20-27(8)18-13-16-25(5)6)36(41)32(34)33(39)28(9)11-2/h15-16,19-20,23,28,41H,10-14,17-18,21-22H2,1-9H3/b26-19+,27-20+
InChIKey NADASPUWCVQKKV-VCNVVWDHSA-N
Molecular Weight 576.818 g/mol
SMILES OC=1C(C(=O)C2=C(C1C(=O)C(CC)C)OC(C=C2CCC)=O)(C\C=C\(CCC=C(C)C)C)C\C=C\(CCC=C(C)C)C
SPLASH splash10-00rl-0007900000-09087b906337ef5afae8
Source of Spectrum KC-1987-327-13
Synonyms 6,6-Bis(geranylated)pyrone 6,6-bis[(2E)-3,7-dimethyl-2,6-octadienyl]-7-hydroxy-8-(2-methylbutanoyl)-4-propyl-2H-chromene-2,5(6H)-dione
Wiley ID 1408262