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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFCAKPvlbcX
Name 2H-1-Benzopyran-2-one, 5,7-dihydroxy-8-(3-methyl-2-butenyl)-6-(2-methyl-1-oxobutyl)-4-pentyl-, (.+-.)-
CAS Registry Number 111761-53-6
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)29-24-17(12-11-14(3)4)22(27)20(23(28)19(16)24)21(26)15(5)7-2/h11,13,15,27-28H,6-10,12H2,1-5H3
InChIKey BZYSFJMTCUKKOB-UHFFFAOYSA-N
Molecular Weight 400.515 g/mol
SMILES Oc1c(c2OC(C=C(c2c(c1C(=O)C(CC)C)O)CCCCC)=O)CC=C(C)C
SPLASH splash10-0f6x-0029800000-b046e672d8df2b2ec38f
Source of Spectrum KC-1987-327-1
Synonyms (.+-.)-Mammea C/AB 4-Pentyl-5,7-dihydroxy-6-(1-methylpronylcarbonyl)-8-(3-methyl2-butenyl)-2-benzopyrone 5,7-Dihydroxy-6-(2-methylbutanoyl)-8-(3-methyl-2-butenyl)-4-pentyl-2H-chromen-2-one
Wiley ID 1369542