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(1R,2R,3S,4R)-3-[(4'-Hydroxy-4'-methyl-1'-oxopent-2'-enyl)oxy]-2-isopropenyl-1-vinyl-1-methyl-4-acetylcyclohexane

View entire compound with spectra: 1 MS (GC)

(1R,2R,3S,4R)-3-[(4'-Hydroxy-4'-methyl-1'-oxopent-2'-enyl)oxy]-2-isopropenyl-1-vinyl-1-methyl-4-acetylcyclohexane
SpectraBase Compound ID HHChSlldU8n
InChI InChI=1S/C20H30O4/c1-8-20(7)12-9-15(14(4)21)18(17(20)13(2)3)24-16(22)10-11-19(5,6)23/h8,10-11,15,17-18,23H,1-2,9,12H2,3-7H3/b11-10+/t15-,17-,18+,20-/m0/s1
InChIKey PQQBWZPCMSAPQA-ILSIZQTJSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IJTcXBqux7
Name (1R,2R,3S,4R)-3-[(4'-Hydroxy-4'-methyl-1'-oxopent-2'-enyl)oxy]-2-isopropenyl-1-vinyl-1-methyl-4-acetylcyclohexane
Alternate Name(s) (1S,2R,3R,6R)-6-acetyl-2-isopropenyl-3-methyl-3-vinylcyclohexyl (2E)-4-hydroxy-4-methyl-2-pentenoate (E)-4-hydroxy-4-methyl-2-pentenoic acid[(1S,2R,3R,6R)-6-acetyl-3-ethenyl-3-methyl-2-(1-methylethenyl)cyclohexyl]ester (E)-4-hydroxy-4-methyl-pent-2-enoic acid[(1S,2R,3R,6R)-6-acetyl-2-isopropenyl-3-methyl-3-vinyl-cyclohexyl]ester 3-[(4'-Hydroxy-4'-methyl-1'-oxopent-2'-enyl)oxy]-2-isopropenyl-1-vinyl-1-methyl-4-acetylcyclohexane [(1S,2R,3R,6R)-6-acetyl-2-isopropenyl-3-methyl-3-vinyl-cyclohexyl](E)-4-hydroxy-4-methyl-pent-2-enoate [(1S,2R,3R,6R)-6-acetyl-3-ethenyl-3-methyl-2-prop-1-en-2-ylcyclohexyl](E)-4-hydroxy-4-methylpent-2-enoate [(1S,2R,3R,6R)-6-ethanoyl-3-ethenyl-3-methyl-2-prop-1-en-2-yl-cyclohexyl](E)-4-methyl-4-oxidanyl-pent-2-enoate (E)-4-hydroxy-4-methyl-2-pentenoic acid [(1S,2R,3R,6R)-6-acetyl-3-ethenyl-3-methyl-2-(1-methylethenyl)cyclohexyl] ester [(1S,2R,3R,6R)-6-acetyl-3-ethenyl-3-methyl-2-prop-1-en-2-ylcyclohexyl] (E)-4-hydroxy-4-methylpent-2-enoate [(1S,2R,3R,6R)-6-acetyl-2-isopropenyl-3-methyl-3-vinyl-cyclohexyl] (E)-4-hydroxy-4-methyl-pent-2-enoate [(1S,2R,3R,6R)-6-ethanoyl-3-ethenyl-3-methyl-2-prop-1-en-2-yl-cyclohexyl] (E)-4-methyl-4-oxidanyl-pent-2-enoate
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Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-8-20(7)12-9-15(14(4)21)18(17(20)13(2)3)24-16(22)10-11-19(5,6)23/h8,10-11,15,17-18,23H,1-2,9,12H2,3-7H3/b11-10+/t15-,17-,18+,20-/m0/s1
InChIKey PQQBWZPCMSAPQA-ILSIZQTJSA-N
Molecular Weight 334.456 g/mol
SMILES OC(\C=C\C(O[C@@]1([C@@](CC[C@@]([C@]1(C(=C)C)[H])(C=C)C)(C(=O)C)[H])[H])=O)(C)C
SPLASH splash10-03di-4910000000-639f12444780a146cdef
Source of Spectrum X2-68-1358-4
Wiley ID 1609685