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1-[(2S,3S)-3-(3,3-Dimethylcycloprop-1-enyl)-3-((Z)-3,7-dimethylocta-2,6-dienyloxy)-2-methylpropoxymethyl]-4-methoxybenzene

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1-[(2S,3S)-3-(3,3-Dimethylcycloprop-1-enyl)-3-((Z)-3,7-dimethylocta-2,6-dienyloxy)-2-methylpropoxymethyl]-4-methoxybenzene
SpectraBase Compound ID 2Ayi6v94CtR
InChI InChI=1S/C27H40O3/c1-20(2)9-8-10-21(3)15-16-30-26(25-17-27(25,5)6)22(4)18-29-19-23-11-13-24(28-7)14-12-23/h9,11-15,17,22,26H,8,10,16,18-19H2,1-7H3/b21-15-/t22-,26-/m0/s1
InChIKey NTORIDFDICFFPQ-RPWRWAPGSA-N
Mol Weight 412.6 g/mol
Molecular Formula C27H40O3
Exact Mass 412.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JIw9XZqGph
Name 1-[(2S,3S)-3-(3,3-Dimethylcycloprop-1-enyl)-3-((Z)-3,7-dimethylocta-2,6-dienyloxy)-2-methylpropoxymethyl]-4-methoxybenzene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O3
InChI InChI=1S/C27H40O3/c1-20(2)9-8-10-21(3)15-16-30-26(25-17-27(25,5)6)22(4)18-29-19-23-11-13-24(28-7)14-12-23/h9,11-15,17,22,26H,8,10,16,18-19H2,1-7H3/b21-15-/t22-,26-/m0/s1
InChIKey NTORIDFDICFFPQ-RPWRWAPGSA-N
Literature Reference DOI 10.1021/ol101741f
Molecular Weight 412.614 g/mol
SMILES C1(C([C@]([C@](COCc2ccc(cc2)OC)(C)[H])(OC\C=C\(C)CCC=C(C)C)[H])=C1)(C)C
SPLASH splash10-00di-3910000000-981a18d0eccd91153aaa
Source of Spectrum A1-12-4144/SMS14-24
Synonyms 1-(((2S,3S)-3-(3,3-dimethylcycloprop-1-en-1-yl)-3-(((Z)-3,7-dimethylocta-2,6-dien-1-yl)oxy)-2-methylpropoxy)methyl)-4-methoxybenzene
Wiley ID 1752537