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(1S,3aS,6S,9E,12aS)-1-isopropyl-3a,6,10-trimethyl-3,5,6,7,8,11,12,12a-octahydro-1H-cyclopentacycloundecene-2,4-quinone
SpectraBase Compound ID EBJzHLVE1Ni
InChI InChI=1S/C20H32O2/c1-13(2)19-16-10-9-14(3)7-6-8-15(4)11-18(22)20(16,5)12-17(19)21/h7,13,15-16,19H,6,8-12H2,1-5H3/b14-7+/t15-,16-,19-,20-/m0/s1
InChIKey MCBCZGAOIAWLBI-RXDQPMKGSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwQlX7KUswR
Name (1S,3aS,6S,9E,12aS)-1-isopropyl-3a,6,10-trimethyl-3,5,6,7,8,11,12,12a-octahydro-1H-cyclopentacycloundecene-2,4-quinone
Alternate Name(s) (1S,3aS,6S,9E,12aS)-1-isopropyl-3a,6,10-trimethyl-3,5,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulene-2,4-dione (1S,3aS,6S,9E,12aS)-3a,6,10-trimethyl-1-propan-2-yl-3,5,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulene-2,4-dione
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Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-13(2)19-16-10-9-14(3)7-6-8-15(4)11-18(22)20(16,5)12-17(19)21/h7,13,15-16,19H,6,8-12H2,1-5H3/b14-7+/t15-,16-,19-,20-/m0/s1
InChIKey MCBCZGAOIAWLBI-RXDQPMKGSA-N
Molecular Weight 304.474 g/mol
SMILES [C@@]12([C@]([C@](C(C)C)(C(C2)=O)[H])(CC\C(=C\CC[C@@](CC1=O)(C)[H])C)[H])C
SPLASH splash10-0k9i-0945000000-336546ed7b32f9d24ba5
Source of Spectrum J-56-3398-6
Wiley ID 1306941