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1H-Xanthene-2,9-dione, 3,4-dihydro-6,8-dihydroxy-1,1,7-tris(3-methyl-2-butenyl)-, hexahydro deriv.
SpectraBase Compound ID 2GUt1MIbXNY
InChI InChI=1S/C28H40O5/c1-16(2)7-8-19-20(29)15-22-24(26(19)31)27(32)25-21(33-22)9-10-23(30)28(25,13-11-17(3)4)14-12-18(5)6/h7,11-12,19-20,22,24,26,29,31H,8-10,13-15H2,1-6H3
InChIKey WQNCYZWCOSGKDU-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C28H40O5
Exact Mass 456.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59LMHxquffQ
Name 1H-Xanthene-2,9-dione, 3,4-dihydro-6,8-dihydroxy-1,1,7-tris(3-methyl-2-butenyl)-, hexahydro deriv.
Alternate Name(s) 6,8-Dihydroxy-1,1,7-tris(3-methyl-2-butenyl)-3,4,5,6,7,8,8a,10a-octahydro-1H-xanthene-2,9-dione Hexahydrozeyloxanthonone
CAS Registry Number 78900-67-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O5
InChI InChI=1S/C28H40O5/c1-16(2)7-8-19-20(29)15-22-24(26(19)31)27(32)25-21(33-22)9-10-23(30)28(25,13-11-17(3)4)14-12-18(5)6/h7,11-12,19-20,22,24,26,29,31H,8-10,13-15H2,1-6H3
InChIKey WQNCYZWCOSGKDU-UHFFFAOYSA-N
Molecular Weight 456.623 g/mol
SMILES OC1CC2OC3=C(C(C2C(C1CC=C(C)C)O)=O)C(C(CC3)=O)(CC=C(C)C)CC=C(C)C
SPLASH splash10-0g70-0369600000-e1753c873f658ce1cbc8
Source of Spectrum KC-1981-1835-0
Wiley ID 1389404