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(1R,7R)-(+)-1,7-Diphenyl-4-[N-((4-acetyloxyphenyl)methyl)amino]heptane-1,7-diol
SpectraBase Compound ID IwUykh5EZI0
InChI InChI=1S/C28H33NO4/c1-21(30)33-26-16-12-22(13-17-26)20-29-25(14-18-27(31)23-8-4-2-5-9-23)15-19-28(32)24-10-6-3-7-11-24/h2-13,16-17,25,27-29,31-32H,14-15,18-20H2,1H3/t27-,28-/m1/s1
InChIKey UUMHJSCPQOVGMT-VSGBNLITSA-N
Mol Weight 447.6 g/mol
Molecular Formula C28H33NO4
Exact Mass 447.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSpXHyNbuCV
Name (1R,7R)-(+)-1,7-Diphenyl-4-[N-((4-acetyloxyphenyl)methyl)amino]heptane-1,7-diol
Comments Less than 3 mono-isotopic peaks
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Formula C28H33NO4
InChI InChI=1S/C28H33NO4/c1-21(30)33-26-16-12-22(13-17-26)20-29-25(14-18-27(31)23-8-4-2-5-9-23)15-19-28(32)24-10-6-3-7-11-24/h2-13,16-17,25,27-29,31-32H,14-15,18-20H2,1H3/t27-,28-/m1/s1
InChIKey UUMHJSCPQOVGMT-VSGBNLITSA-N
Molecular Weight 447.575 g/mol
SMILES N(Cc1ccc(OC(=O)C)cc1)C(CC[C@](c1ccccc1)(O)[H])CC[C@](c1ccccc1)(O)[H]
SPLASH splash10-0a4i-0900000000-8ba90a5a8893f0141a37
Source of Spectrum J-64-1731-5
Synonyms 4-[({(4R)-4-hydroxy-1-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenylbutyl}amino)methyl]phenyl acetate acetic acid [4-[[[(1R,7R)-1,7-dihydroxy-1,7-diphenylheptan-4-yl]amino]methyl]phenyl] ester [4-[[[(1R,7R)-1,7-dihydroxy-1,7-diphenylheptan-4-yl]amino]methyl]phenyl] acetate [4-[[[(4R)-4-hydroxy-1-[(3R)-3-hydroxy-3-phenyl-propyl]-4-phenyl-butyl]amino]methyl]phenyl] acetate [4-[[[(1R,7R)-1,7-bis(oxidanyl)-1,7-diphenyl-heptan-4-yl]amino]methyl]phenyl] ethanoate
Wiley ID 1529569