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object
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EkQSo2Jahif
spectrumID
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EkQSo2Jahif
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WMSL3X:165732:1
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Mass Spectrum (GC)
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2H-1-Benzopyran-2-one, 5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-(2-methyl-1-oxobutyl)-4-pentyl-, (.+-.)-
SpectraBase Compound ID 5JlSoGB1Bxz
InChI InChI=1S/C24H32O5/c1-6-8-9-10-16-13-18(25)29-24-19(16)22(27)17(12-11-14(3)4)23(28)20(24)21(26)15(5)7-2/h11,13,15,27-28H,6-10,12H2,1-5H3
InChIKey HHPBGHOULCFTMR-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkQSo2Jahif
Name 2H-1-Benzopyran-2-one, 5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-(2-methyl-1-oxobutyl)-4-pentyl-, (.+-.)-
CAS Registry Number 111761-52-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-6-8-9-10-16-13-18(25)29-24-19(16)22(27)17(12-11-14(3)4)23(28)20(24)21(26)15(5)7-2/h11,13,15,27-28H,6-10,12H2,1-5H3
InChIKey HHPBGHOULCFTMR-UHFFFAOYSA-N
Molecular Weight 400.515 g/mol
SMILES Oc1c(c(c2c(c1C(=O)C(CC)C)OC(C=C2CCCCC)=O)O)CC=C(C)C
SPLASH splash10-0006-0019200000-1430222cfdadb9959495
Source of Spectrum KC-1987-326-1
Synonyms (.+-.)-Mammea C/BB 4-Pentyl-5,7-dihydroxy-6-(3-methyl2-butenyl)-8-(1-methylpronylcarbonyl)-2-benzopyrone 5,7-Dihydroxy-8-(2-methylbutanoyl)-6-(3-methyl-2-butenyl)-4-pentyl-2H-chromen-2-one 5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(2-methyl-1-oxobutyl)-4-pentyl-1-benzopyran-2-one 5,7-Dihydroxy-8-(2-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-pentylchromen-2-one 5,7-Dihydroxy-8-(2-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-pentyl-chromen-2-one 8-(2-Methylbutanoyl)-6-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-pentyl-chromen-2-one
Wiley ID 1369541
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