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3,6,9-cyclotetradecatriene-1,2-diol, 3,7,11-trimethyl-14-(1-methylethenyl)-, (1R*,2R*,3E,6E,10E,14R*)-(+-)-
SpectraBase Compound ID 3KE0S7APhqV
InChI InChI=1S/C20H32O2/c1-14(2)18-13-12-16(4)9-6-8-15(3)10-7-11-17(5)19(21)20(18)22/h6,9-11,16,18-22H,1,7-8,12-13H2,2-5H3/b9-6+,15-10+,17-11+/t16?,18-,19-,20-/m1/s1
InChIKey KMFJXGQCCQEXCC-DIHKCJCXSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuasGdA2DT2
Name 3,6,9-cyclotetradecatriene-1,2-diol, 3,7,11-trimethyl-14-(1-methylethenyl)-, (1R*,2R*,3E,6E,10E,14R*)-(+-)-
CAS Registry Number 107171-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-14(2)18-13-12-16(4)9-6-8-15(3)10-7-11-17(5)19(21)20(18)22/h6,9-11,16,18-22H,1,7-8,12-13H2,2-5H3/b9-6+,15-10+,17-11+/t16?,18-,19-,20-/m1/s1
InChIKey KMFJXGQCCQEXCC-DIHKCJCXSA-N
Molecular Weight 304.474 g/mol
SMILES O[C@@]1(\C(=C\C\C=C\(C\C=C\C(CC[C@@]([C@]1(O)[H])(C(=C)C)[H])C)C)C)[H]
SPLASH splash10-053r-9420000000-b5cad18949f83bfc9024
Source of Spectrum J-52-1807-17
Synonyms (1R,2R,14R)-14-isopropenyl-3,7,11-trimethyl-3,6,9-cyclotetradecatriene-1,2-diol
Wiley ID 1306911