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2H-1-Benzopyran-2-one, 5,7-dihydroxy-8-(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-4-propyl-
SpectraBase Compound ID E3Aj0GbRVRy
InChI InChI=1S/C21H26O5/c1-6-7-13-10-15(22)26-21-14(9-8-11(2)3)19(24)17(18(23)12(4)5)20(25)16(13)21/h8,10,12,24-25H,6-7,9H2,1-5H3
InChIKey DHGLNRXWEAGABF-UHFFFAOYSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhLhDn9KWv6
Name 2H-1-Benzopyran-2-one, 5,7-dihydroxy-8-(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-4-propyl-
CAS Registry Number 98192-71-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-6-7-13-10-15(22)26-21-14(9-8-11(2)3)19(24)17(18(23)12(4)5)20(25)16(13)21/h8,10,12,24-25H,6-7,9H2,1-5H3
InChIKey DHGLNRXWEAGABF-UHFFFAOYSA-N
Molecular Weight 358.434 g/mol
SMILES Oc1c(c2OC(C=C(c2c(c1C(=O)C(C)C)O)CCC)=O)CC=C(C)C
SPLASH splash10-0aor-0049000000-631e29f93806bdd88ff6
Source of Spectrum KC-1987-326-1
Synonyms 4-Propyl-5,7-dihydroxy-6-isopropylcarbonyl-8-(3-methyl-2-butenyl)-1,2-benzopyrone 5,7-Dihydroxy-6-isobutyryl-8-(3-methyl-2-butenyl)-4-propyl-2H-chromen-2-one Mammea b/ad
Wiley ID 1347178