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Puupehedione
SpectraBase Compound ID FXE5mOgUfX7
InChI InChI=1S/C21H26O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h10-12,17H,5-9H2,1-4H3/t17-,20-,21-/m0/s1
InChIKey QLFLHSQZFRDPFM-YYWHXJBOSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzHLon2bsDr
Name Puupehedione
CAS Registry Number 151345-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h10-12,17H,5-9H2,1-4H3/t17-,20-,21-/m0/s1
InChIKey QLFLHSQZFRDPFM-YYWHXJBOSA-N
Molecular Weight 326.436 g/mol
SMILES C1=2[C@@]3([C@@](C(C)(C)CCC3)([H])CC[C@@]1(OC=1C(C2)=CC(C(=O)C1)=O)C)C
SPLASH splash10-03di-3958000000-7d2e6019136b82914c63
Source of Spectrum J-58-6567-7
Synonyms (4aS,6aS,12bS)-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6-hexahydrobenzo[a]xanthene-9,10-dione
Wiley ID 1325117