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(Z)-24-Acetoxy-neomanoalide
SpectraBase Compound ID HmMuptGNRYS
InChI InChI=1S/C27H40O5/c1-19(11-13-24-20(2)9-7-15-27(24,4)5)8-6-10-22(18-31-21(3)29)12-14-25-23(17-28)16-26(30)32-25/h8,12,16,25,28H,6-7,9-11,13-15,17-18H2,1-5H3/b19-8+,22-12-
InChIKey MRHKMIZTLJVJLS-QLHXWLSUSA-N
Mol Weight 444.6 g/mol
Molecular Formula C27H40O5
Exact Mass 444.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rSH8X8IVXc
Name (Z)-24-Acetoxy-neomanoalide
Alternate Name(s) Acetic acid [(E,2Z)-2-[2-[3-(hydroxymethyl)-5-oxo-2H-furan-2-yl]ethylidene]-6-methyl-8-(2,6,6-trimethyl-1-cyclohexenyl)oct-5-enyl] ester [(E,2Z)-2-[2-[3-(hydroxymethyl)-5-oxo-2H-furan-2-yl]ethylidene]-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enyl] acetate [(E,2Z)-2-[2-[3-(hydroxymethyl)-5-oxidanylidene-2H-furan-2-yl]ethylidene]-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enyl] ethanoate
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Formula C27H40O5
InChI InChI=1S/C27H40O5/c1-19(11-13-24-20(2)9-7-15-27(24,4)5)8-6-10-22(18-31-21(3)29)12-14-25-23(17-28)16-26(30)32-25/h8,12,16,25,28H,6-7,9-11,13-15,17-18H2,1-5H3/b19-8+,22-12-
InChIKey MRHKMIZTLJVJLS-QLHXWLSUSA-N
Molecular Weight 444.612 g/mol
SMILES OCC1=CC(=O)OC1C\C=C/(COC(=O)C)CC\C=C\(CCC1=C(CCCC1(C)C)C)C
SPLASH splash10-000j-7910000000-47450646666f0b536d3c
Source of Spectrum X2-55-177-3
Wiley ID 1604362