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(1R,2R,3S,4S)-2-((E)-1,5-Dimethyl-hexa-1,4-dienyl)-3,4-bis-(4-methoxy-benzyloxy)-cyclohexanol
SpectraBase Compound ID GqpjVf5hwg1
InChI InChI=1S/C30H40O5/c1-21(2)7-6-8-22(3)29-27(31)17-18-28(34-19-23-9-13-25(32-4)14-10-23)30(29)35-20-24-11-15-26(33-5)16-12-24/h7-16,27-31H,6,17-20H2,1-5H3/b22-8+/t27-,28+,29-,30-/m1/s1
InChIKey KIVWMTAJFNQRJC-UFYMTLNPSA-N
Mol Weight 480.6 g/mol
Molecular Formula C30H40O5
Exact Mass 480.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oK0ZCps2u3
Name (1R,2R,3S,4S)-2-((E)-1,5-Dimethyl-hexa-1,4-dienyl)-3,4-bis-(4-methoxy-benzyloxy)-cyclohexanol
Alternate Name(s) (1R,2R,3S,4S)-2-({1E)-1,5-Dimethylhexa-1,4-dien-1-yl}-1,2-di(4-methoxybenzyl)oxycyclohexan-1-ol (1R,2R,3S,4S)-2-[(1E)-1,5-dimethyl-1,4-hexadienyl]-3,4-bis[(4-methoxybenzyl)oxy]cyclohexanol Cyclohexanol
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Formula C30H40O5
InChI InChI=1S/C30H40O5/c1-21(2)7-6-8-22(3)29-27(31)17-18-28(34-19-23-9-13-25(32-4)14-10-23)30(29)35-20-24-11-15-26(33-5)16-12-24/h7-16,27-31H,6,17-20H2,1-5H3/b22-8+/t27-,28+,29-,30-/m1/s1
InChIKey KIVWMTAJFNQRJC-UFYMTLNPSA-N
Molecular Weight 480.645 g/mol
SMILES O[C@]1([C@]([C@](OCc2ccc(cc2)OC)([C@@](OCc2ccc(cc2)OC)(CC1)[H])[H])(\C(=C\CC=C(C)C)C)[H])[H]
SPLASH splash10-00di-0902000000-a1e71af8797e5a716a44
Source of Spectrum F-55-2218-33
Wiley ID 836992