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5H-1-Benzopyran-5-one, 2,3,4,6-tetrahydro-3,6,7-trihydroxy-2,2-dimethyl-6-(3-methyl-2-butenyl)-8-(3-methyl-1-oxobutyl)-
SpectraBase Compound ID 5KF3SJ8waPg
InChI InChI=1S/C21H30O6/c1-11(2)7-8-21(26)18(24)13-10-15(23)20(5,6)27-17(13)16(19(21)25)14(22)9-12(3)4/h7,12,15,23,25-26H,8-10H2,1-6H3
InChIKey JTPYGUBNLGLTNJ-UHFFFAOYSA-N
Mol Weight 378.47 g/mol
Molecular Formula C21H30O6
Exact Mass 378.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HilOu8iOzpE
Name 5H-1-Benzopyran-5-one, 2,3,4,6-tetrahydro-3,6,7-trihydroxy-2,2-dimethyl-6-(3-methyl-2-butenyl)-8-(3-methyl-1-oxobutyl)-
CAS Registry Number 81677-89-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O6
InChI InChI=1S/C21H30O6/c1-11(2)7-8-21(26)18(24)13-10-15(23)20(5,6)27-17(13)16(19(21)25)14(22)9-12(3)4/h7,12,15,23,25-26H,8-10H2,1-6H3
InChIKey JTPYGUBNLGLTNJ-UHFFFAOYSA-N
Molecular Weight 378.465 g/mol
SMILES OC1CC2=C(C(=C(C(C2=O)(CC=C(C)C)O)O)C(CC(C)C)=O)OC1(C)C
SPLASH splash10-000i-4192000000-8bfa2f5d79ef107ade20
Source of Spectrum KC-1982-381-0
Synonyms 2,2-Dimethyl-3,6-dihydroxy-6-(3-methyl-2-buten-1-yl)-8-(isopentoyl)chroman-5-one 3,6,7-trihydroxy-2,2-dimethyl-8-(3-methylbutanoyl)-6-(3-methyl-2-butenyl)-2,3,4,6-tetrahydro-5H-chromen-5-one
Wiley ID 1358795