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PYCNANTHUQUINONE_C
SpectraBase Compound ID EGvELMTCAYG
InChI InChI=1S/C17H22O4/c1-8-7-10(18)13-11(14(8)19)15(20)12-9(16(13,2)3)5-6-17(12,4)21/h7,9,12,15,20-21H,5-6H2,1-4H3/t9-,12-,15+,17?/m1/s1
InChIKey TZRVFRBFVXPYHU-LUBMOKJXSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JNBgiIW1I
Name (3aR,9R,9aR)-1,9-Dihydroxy-1,4,4,7-tetramethyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-5,8-dione
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Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-8-7-10(18)13-11(14(8)19)15(20)12-9(16(13,2)3)5-6-17(12,4)21/h7,9,12,15,20-21H,5-6H2,1-4H3/t9-,12-,15+,17?/m1/s1
InChIKey TZRVFRBFVXPYHU-LUBMOKJXSA-N
Molecular Weight 290.359 g/mol
SMILES O[C@@]1([C@@]2(C(CC[C@]2(C(C2=C1C(C(=CC2=O)C)=O)(C)C)[H])(O)C)[H])[H]
SPLASH splash10-0w3c-9160000000-33f13139cc572e535f4b
Source of Spectrum G4-70-674-1
Synonyms 1,4,4,7-Tetramethyl-1,9-dihydroxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[2,3-b]naphthalene-5,8-dione Pycnanthuquinone (3aR,4R,9aR)-3,4-dihydroxy-3,6,9,9-tetramethyl-2,3a,4,9a-tetrahydro-1H-cyclopenta[g]naphthalene-5,8-dione (3aR,4R,9aR)-3,6,9,9-tetramethyl-3,4-bis(oxidanyl)-2,3a,4,9a-tetrahydro-1H-cyclopenta[g]naphthalene-5,8-dione
Wiley ID 1694727