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Methyl 2-Methoxy-6-[(1E)-6-((4S,5S)-5-{2-[(4-methoxybenzyl)oxy]ethyl}-2,2-dimethyl-1,3-dioxolan-4-yl)hex-1-enyl]benzoate
SpectraBase Compound ID zfkkSF6a8a
InChI InChI=1S/C30H40O7/c1-30(2)36-25(26(37-30)19-20-35-21-22-15-17-24(32-3)18-16-22)13-9-7-6-8-11-23-12-10-14-27(33-4)28(23)29(31)34-5/h8,10-12,14-18,25-26H,6-7,9,13,19-21H2,1-5H3/b11-8+/t25-,26-/m0/s1
InChIKey YQHKFYSVNXFJED-WMLILJHUSA-N
Mol Weight 512.6 g/mol
Molecular Formula C30H40O7
Exact Mass 512.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LECnhqSB2pp
Name Methyl 2-Methoxy-6-[(1E)-6-((4S,5S)-5-{2-[(4-methoxybenzyl)oxy]ethyl}-2,2-dimethyl-1,3-dioxolan-4-yl)hex-1-enyl]benzoate
Alternate Name(s) Methyl 2-methoxy-6-[(1E)-6-((4S,5S)-5-{2-[(4-methoxybenzyl)oxy]ethyl}-2,2-dimethyl-1,3-dioxolan-4-yl)-1-hexenyl]benzoate
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Formula C30H40O7
InChI InChI=1S/C30H40O7/c1-30(2)36-25(26(37-30)19-20-35-21-22-15-17-24(32-3)18-16-22)13-9-7-6-8-11-23-12-10-14-27(33-4)28(23)29(31)34-5/h8,10-12,14-18,25-26H,6-7,9,13,19-21H2,1-5H3/b11-8+/t25-,26-/m0/s1
InChIKey YQHKFYSVNXFJED-WMLILJHUSA-N
Molecular Weight 512.643 g/mol
SMILES c1(C(=O)OC)c(\C=C\CCCC[C@@]2(OC(C)(C)O[C@]2(CCOCc2ccc(cc2)OC)[H])[H])cccc1OC
SPLASH splash10-00di-0900630000-facc2d8e3c0f4743d15b
Source of Spectrum CV-2003-950-30
Wiley ID 1610973