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(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-2-octadeca-3,5,7,9,11,13,15,17-octaenone
SpectraBase Compound ID 78VufxWLWfA
InChI InChI=1S/C31H42O2/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(6)32)15-11-16-25(3)19-20-30-27(5)21-29(33)22-31(30,7)8/h9-20,29,33H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,20-19+,23-13+,24-14+,25-16+,26-18+/t29-/m1/s1
InChIKey PJAPZIZSFGWFOQ-UMNNXZQXSA-N
Mol Weight 446.7 g/mol
Molecular Formula C31H42O2
Exact Mass 446.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IUnhjtXRso
Name (3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-2-octadeca-3,5,7,9,11,13,15,17-octaenone
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Formula C31H42O2
InChI InChI=1S/C31H42O2/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(6)32)15-11-16-25(3)19-20-30-27(5)21-29(33)22-31(30,7)8/h9-20,29,33H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,20-19+,23-13+,24-14+,25-16+,26-18+/t29-/m1/s1
InChIKey PJAPZIZSFGWFOQ-UMNNXZQXSA-N
Molecular Weight 446.675 g/mol
SMILES O[C@]1(CC(C(=C(C1)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C(=O)C)C)C)C)C)(C)C)[H]
SPLASH splash10-0005-5600900000-025e1f0640156f3282ee
Source of Spectrum SB-48-664-2
Synonyms (3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15,17-octaen-2-one (3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one
Wiley ID 1386852