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(+/-)-Penicillone B
SpectraBase Compound ID KtjSHt772Jm
InChI InChI=1S/C14H20O4/c1-6-7-4-5-8(15)9-10(7)14(3,18)12(17)13(6,2)11(9)16/h6-10,15,18H,4-5H2,1-3H3/t6-,7-,8+,9-,10+,13-,14+/m0/s1
InChIKey LMSMABQXBYDSIJ-GCIDYBAJSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsuUUEhihMz
Name (+/-)-Penicillone B
Alternate Name(s) (4R)-4,8-dihydroxy-6,8,9-trimethylhexahydro-1,6-methanonaphthalene-5,7(1H,6H)-dione
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Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-6-7-4-5-8(15)9-10(7)14(3,18)12(17)13(6,2)11(9)16/h6-10,15,18H,4-5H2,1-3H3/t6-,7-,8+,9-,10+,13-,14+/m0/s1
InChIKey LMSMABQXBYDSIJ-GCIDYBAJSA-N
Literature Reference DOI 10.1021/ol702062p
Molecular Weight 252.310 g/mol
SMILES O[C@@]1([C@@]2([C@]3(CC[C@]([C@@]2(C([C@@](C1=O)([C@]3(C)[H])C)=O)[H])(O)[H])[H])[H])C
SPLASH splash10-00di-0930000000-67818aa64119c761cc58
Source of Spectrum A1-9-4563/SMS8-2
Wiley ID 1758718