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Heptanoic acid, 6-[[2-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]amino]-, [R-(R*,R*)]-
SpectraBase Compound ID FhfvYW6j0Sl
InChI InChI=1S/C29H35NO5/c1-22(10-8-9-15-29(32)33)30-19-26(31)25-16-17-27(34-20-23-11-4-2-5-12-23)28(18-25)35-21-24-13-6-3-7-14-24/h2-7,11-14,16-18,22,26,30-31H,8-10,15,19-21H2,1H3,(H,32,33)/t22-,26+/m1/s1
InChIKey BBBDVIZOQWNUEY-GJZUVCINSA-N
Mol Weight 477.6 g/mol
Molecular Formula C29H35NO5
Exact Mass 477.251523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECOJgVMTr9b
Name Heptanoic acid, 6-[[2-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]amino]-, [R-(R*,R*)]-
CAS Registry Number 118943-58-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H35NO5
InChI InChI=1S/C29H35NO5/c1-22(10-8-9-15-29(32)33)30-19-26(31)25-16-17-27(34-20-23-11-4-2-5-12-23)28(18-25)35-21-24-13-6-3-7-14-24/h2-7,11-14,16-18,22,26,30-31H,8-10,15,19-21H2,1H3,(H,32,33)/t22-,26+/m1/s1
InChIKey BBBDVIZOQWNUEY-GJZUVCINSA-N
Molecular Weight 477.601 g/mol
SMILES N(C[C@@](c1cc(c(OCc2ccccc2)cc1)OCc1ccccc1)(O)[H])[C@@](CCCCC(=O)O)(C)[H]
SPLASH splash10-0a4l-7900000000-6805d031e74ed9ef8901
Source of Spectrum H-71-334-34
Synonyms (6R)-6-({(2R)-2-[3,4-bis(benzyloxy)phenyl]-2-hydroxyethyl}amino)heptanoic acid (R)-6-{(R)-[2-[3,4-bis(benzyloxy)phenyl]-2-hydroxyethyl]amino}heptanoic acid
Wiley ID 1394582