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6-Tridecenenitrile, 2-amino-13-(2-hexyl-1,3-dioxolan-2-yl)-3,4-bis(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, [2S-(2R*,3S*,4S*,6E)]-
SpectraBase Compound ID 8MoDueOhZjF
InChI InChI=1S/C44H60N2O5/c1-2-3-4-20-29-44(50-31-32-51-44)30-21-9-7-5-6-8-19-28-41(48-34-39-24-15-11-16-25-39)42(49-35-40-26-17-12-18-27-40)43(46,36-45)37-47-33-38-22-13-10-14-23-38/h8,10-19,22-27,41-42H,2-7,9,20-21,28-35,37,46H2,1H3/b19-8+/t41-,42+,43+/m1/s1
InChIKey ZBTIHIUNYWARBX-OPWFJWOLSA-N
Mol Weight 697.0 g/mol
Molecular Formula C44H60N2O5
Exact Mass 696.450223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WiVhx9zmcM
Name 6-Tridecenenitrile, 2-amino-13-(2-hexyl-1,3-dioxolan-2-yl)-3,4-bis(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, [2S-(2R*,3S*,4S*,6E)]-
CAS Registry Number 78086-20-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H60N2O5
InChI InChI=1S/C44H60N2O5/c1-2-3-4-20-29-44(50-31-32-51-44)30-21-9-7-5-6-8-19-28-41(48-34-39-24-15-11-16-25-39)42(49-35-40-26-17-12-18-27-40)43(46,36-45)37-47-33-38-22-13-10-14-23-38/h8,10-19,22-27,41-42H,2-7,9,20-21,28-35,37,46H2,1H3/b19-8+/t41-,42+,43+/m1/s1
InChIKey ZBTIHIUNYWARBX-OPWFJWOLSA-N
Molecular Weight 696.973 g/mol
SMILES N[C@@]([C@@](OCc1ccccc1)([C@](OCc1ccccc1)(C\C=C\CCCCCCC1(OCCO1)CCCCCC)[H])[H])(C#N)COCc1ccccc1
SPLASH splash10-0006-9400000000-1e329cf8802a7796063f
Source of Spectrum I-59-277-0
Synonyms (2S,3R,4R,6E)-2-amino-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-13-(2-hexyl-1,3-dioxolan-2-yl)-6-tridecenenitrile 1-[2,3,5-tri-O-benzyl-4-amino-4-cyano-D-arabinosyl]-9-ethylenedioxypentadec-1-ene (isomer b)
Wiley ID 1414954