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Heptanoic acid, 6-[[2-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]amino]-, 1,1-dimethylethyl ester, [R-(R*,R*)]-
SpectraBase Compound ID LtcPnILXM3p
InChI InChI=1S/C33H43NO5/c1-25(13-11-12-18-32(36)39-33(2,3)4)34-22-29(35)28-19-20-30(37-23-26-14-7-5-8-15-26)31(21-28)38-24-27-16-9-6-10-17-27/h5-10,14-17,19-21,25,29,34-35H,11-13,18,22-24H2,1-4H3/t25-,29+/m1/s1
InChIKey GUEYKNBMSNRGNG-IRPSRAIASA-N
Mol Weight 533.7 g/mol
Molecular Formula C33H43NO5
Exact Mass 533.314123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIISHzyKn11
Name Heptanoic acid, 6-[[2-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]amino]-, 1,1-dimethylethyl ester, [R-(R*,R*)]-
CAS Registry Number 118943-56-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H43NO5
InChI InChI=1S/C33H43NO5/c1-25(13-11-12-18-32(36)39-33(2,3)4)34-22-29(35)28-19-20-30(37-23-26-14-7-5-8-15-26)31(21-28)38-24-27-16-9-6-10-17-27/h5-10,14-17,19-21,25,29,34-35H,11-13,18,22-24H2,1-4H3/t25-,29+/m1/s1
InChIKey GUEYKNBMSNRGNG-IRPSRAIASA-N
Molecular Weight 533.709 g/mol
SMILES N(C[C@@](c1cc(c(OCc2ccccc2)cc1)OCc1ccccc1)(O)[H])[C@@](CCCCC(OC(C)(C)C)=O)(C)[H]
SPLASH splash10-0btf-9970000000-1f0938407f3b8335f1e3
Source of Spectrum H-71-334-33
Synonyms t-Butyl (R)-6-{(R)-[2-[3,4-bis(benzyloxy)phenyl]-2-hydroxyethyl]amino}heptanoate tert-Butyl (6R)-6-({(2R)-2-[3,4-bis(benzyloxy)phenyl]-2-hydroxyethyl}amino)heptanoate
Wiley ID 1403729