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(4R,4aS,9aS)-2-methyl-4,9a-bis(oxidanyl)-5-phenylmethoxy-4,4a-dihydrofluorene-3,9-dione
SpectraBase Compound ID 5FdMoywtd4X
InChI InChI=1S/C21H18O5/c1-12-10-21(25)17(19(23)18(12)22)16-14(20(21)24)8-5-9-15(16)26-11-13-6-3-2-4-7-13/h2-10,17,19,23,25H,11H2,1H3/t17-,19+,21-/m0/s1
InChIKey DORSGKPVWYIKQK-DSKINZAPSA-N
Mol Weight 350.37 g/mol
Molecular Formula C21H18O5
Exact Mass 350.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjpqHJbPpOq
Name (4R,4aS,9aS)-2-methyl-4,9a-bis(oxidanyl)-5-phenylmethoxy-4,4a-dihydrofluorene-3,9-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O5
InChI InChI=1S/C21H18O5/c1-12-10-21(25)17(19(23)18(12)22)16-14(20(21)24)8-5-9-15(16)26-11-13-6-3-2-4-7-13/h2-10,17,19,23,25H,11H2,1H3/t17-,19+,21-/m0/s1
InChIKey DORSGKPVWYIKQK-DSKINZAPSA-N
Molecular Weight 350.370 g/mol
SMILES O[C@@]1([C@]2([C@](C(c3cccc(c23)OCc2ccccc2)=O)(C=C(C1=O)C)O)[H])[H]
SPLASH splash10-0006-9000000000-3c8a585a48f7aee461e3
Source of Spectrum KC-57-2724-20
Synonyms (4R,4aS,9aS)-4,9a-dihydroxy-2-methyl-5-phenylmethoxy-4,4a-dihydrofluorene-3,9-dione (4R,4aS,9aS)-5-benzoxy-4,9a-dihydroxy-2-methyl-4,4a-dihydrofluorene-3,9-quinone (4R,4aS,9aS)-5-benzyloxy-4,9a-dihydroxy-2-methyl-4,4a-dihydrofluorene-3,9-dione
Wiley ID 1623615