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(1R,7R)-(+)-1,7-Bis(2-methoxyphenyl)-4-[N-((4-acetyloxyphenyl)methyl)amino]heptane-1,7-diol

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(1R,7R)-(+)-1,7-Bis(2-methoxyphenyl)-4-[N-((4-acetyloxyphenyl)methyl)amino]heptane-1,7-diol
SpectraBase Compound ID 52jKxGq72vF
InChI InChI=1S/C30H37NO6/c1-21(32)37-24-16-12-22(13-17-24)20-31-23(14-18-27(33)25-8-4-6-10-29(25)35-2)15-19-28(34)26-9-5-7-11-30(26)36-3/h4-13,16-17,23,27-28,31,33-34H,14-15,18-20H2,1-3H3/t27-,28-/m1/s1
InChIKey BAQRSFKQTGHOIB-VSGBNLITSA-N
Mol Weight 507.6 g/mol
Molecular Formula C30H37NO6
Exact Mass 507.262088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cMHxXhfnVD
Name (1R,7R)-(+)-1,7-Bis(2-methoxyphenyl)-4-[N-((4-acetyloxyphenyl)methyl)amino]heptane-1,7-diol
Alternate Name(s) acetic acid[4-[[[(1R,7R)-1,7-dihydroxy-1,7-bis(2-methoxyphenyl)heptan-4-yl]amino]methyl]phenyl]ester acetic acid[4-[[[(4R)-4-hydroxy-1-[(3R)-3-hydroxy-3-(2-methoxyphenyl)propyl]-4-(2-methoxyphenyl)butyl]amino]methyl]phenyl]ester [4-[[[(1R,7R)-1,7-bis(2-methoxyphenyl)-1,7-bis(oxidanyl)heptan-4-yl]amino]methyl]phenyl]ethanoate [4-[[[(1R,7R)-1,7-dihydroxy-1,7-bis(2-methoxyphenyl)heptan-4-yl]amino]methyl]phenyl]acetate [4-[[[(4R)-4-hydroxy-1-[(3R)-3-hydroxy-3-(2-methoxyphenyl)propyl]-4-(2-methoxyphenyl)butyl]amino]methyl]phenyl]acetate acetic acid [4-[[[(1R,7R)-1,7-dihydroxy-1,7-bis(2-methoxyphenyl)heptan-4-yl]amino]methyl]phenyl] ester [4-[[[(1R,7R)-1,7-dihydroxy-1,7-bis(2-methoxyphenyl)heptan-4-yl]amino]methyl]phenyl] acetate [4-[[[(4R)-4-hydroxy-1-[(3R)-3-hydroxy-3-(2-methoxyphenyl)propyl]-4-(2-methoxyphenyl)butyl]amino]methyl]phenyl] acetate [4-[[[(1R,7R)-1,7-bis(2-methoxyphenyl)-1,7-bis(oxidanyl)heptan-4-yl]amino]methyl]phenyl] ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C30H37NO6
InChI InChI=1S/C30H37NO6/c1-21(32)37-24-16-12-22(13-17-24)20-31-23(14-18-27(33)25-8-4-6-10-29(25)35-2)15-19-28(34)26-9-5-7-11-30(26)36-3/h4-13,16-17,23,27-28,31,33-34H,14-15,18-20H2,1-3H3/t27-,28-/m1/s1
InChIKey BAQRSFKQTGHOIB-VSGBNLITSA-N
Molecular Weight 507.627 g/mol
SMILES N(C(CC[C@](c1c(OC)cccc1)(O)[H])CC[C@](c1c(OC)cccc1)(O)[H])Cc1ccc(OC(=O)C)cc1
SPLASH splash10-00di-0009000000-e02ae3d1b46be9a88246
Source of Spectrum J-64-1731-5
Wiley ID 1529568