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(+)-(alpha-S)-alpha-{2-[4-(Acetyloxy)phenyl]ethyl}-4-methoxybenzenepentanol
SpectraBase Compound ID jr2sAsYdID
InChI InChI=1S/C22H28O4/c1-17(23)26-22-15-10-19(11-16-22)7-12-20(24)6-4-3-5-18-8-13-21(25-2)14-9-18/h8-11,13-16,20,24H,3-7,12H2,1-2H3/t20-/m0/s1
InChIKey LLRYMWKNPCHNRN-FQEVSTJZSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HaG7K0l2tmz
Name (+)-(alpha-S)-alpha-{2-[4-(Acetyloxy)phenyl]ethyl}-4-methoxybenzenepentanol
Alternate Name(s) (+)-4'-(Acetyloxy)-4''-methoxycentrolobol (+)-4-[(3s)-3-Hydroxy-7-(4-methoxyphenyl)heptyl]phenyl Acetate (S)-4-(3-hydroxy-7-(4-methoxyphenyl)heptyl)phenyl acetate
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Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-17(23)26-22-15-10-19(11-16-22)7-12-20(24)6-4-3-5-18-8-13-21(25-2)14-9-18/h8-11,13-16,20,24H,3-7,12H2,1-2H3/t20-/m0/s1
InChIKey LLRYMWKNPCHNRN-FQEVSTJZSA-N
Literature Reference DOI 10.1002/hlca.201000096
Molecular Weight 356.462 g/mol
SMILES O[C@](CCc1ccc(OC(C)=O)cc1)(CCCCc1ccc(cc1)OC)[H]
SPLASH splash10-05fs-0921000000-51285425d233c1ee66fb
Source of Spectrum H-93-1293-(+)_12
Wiley ID 1783986