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(E)-(2S*,5S*,7S*,1'S*)-2-(1-Acetoxy-4-ethylhex-4-en-1-yl)-2-methyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-ene
SpectraBase Compound ID 39QrJoC635C
InChI InChI=1S/C23H36O5/c1-5-19(6-2)10-11-20(26-18(3)24)21(4)15-16-23(27-21)14-9-13-22(28-23)12-7-8-17-25-22/h5,9,13,20H,6-8,10-12,14-17H2,1-4H3/b19-5+/t20-,21-,22-,23+/m0/s1
InChIKey WKGPDDIIEUNXDP-WHMJEXEVSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALaNJzs5uz5
Name (E)-(2S*,5S*,7S*,1'S*)-2-(1-Acetoxy-4-ethylhex-4-en-1-yl)-2-methyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-ene
Alternate Name(s) (1S,4E)-4-ethyl-1-[(2S,5S,7S)-2-methyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-2-yl]-4-hexenyl acetate (E)-(2S*,7S*,1'R*/S*)-2-(1-Acetoxy-4-ethylhex-4-en-1-yl)-2-methyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-ene
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Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-5-19(6-2)10-11-20(26-18(3)24)21(4)15-16-23(27-21)14-9-13-22(28-23)12-7-8-17-25-22/h5,9,13,20H,6-8,10-12,14-17H2,1-4H3/b19-5+/t20-,21-,22-,23+/m0/s1
InChIKey WKGPDDIIEUNXDP-WHMJEXEVSA-N
Molecular Weight 392.536 g/mol
SMILES [C@]12(O[C@]3(OCCCC3)C=CC1)O[C@@]([C@@](OC(=O)C)(CC\C(=C\C)CC)[H])(C)CC2
SPLASH splash10-00di-4493000000-b284d7bf4a2f26d6dc4b
Source of Spectrum KC-0-2800-13
Wiley ID 829047