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[5S,6R,8S]-8-[N-Benzyl-N-[(benzyloxy)carbonyl]amino]-5-(benzyloxy)-6-[(benzyloxy)carbonyl]oxy]-12-tridecene
SpectraBase Compound ID BoRHSccitlN
InChI InChI=1S/C43H51NO6/c1-3-5-11-28-39(44(31-35-20-12-7-13-21-35)42(45)48-33-37-24-16-9-17-25-37)30-41(50-43(46)49-34-38-26-18-10-19-27-38)40(29-6-4-2)47-32-36-22-14-8-15-23-36/h3,7-10,12-27,39-41H,1,4-6,11,28-34H2,2H3/t39-,40-,41+/m0/s1
InChIKey COOWIMXVYSPKQC-YZBUDRBASA-N
Mol Weight 677.9 g/mol
Molecular Formula C43H51NO6
Exact Mass 677.371638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sEKJmiGbQj
Name [5S,6R,8S]-8-[N-Benzyl-N-[(benzyloxy)carbonyl]amino]-5-(benzyloxy)-6-[(benzyloxy)carbonyl]oxy]-12-tridecene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H51NO6
InChI InChI=1S/C43H51NO6/c1-3-5-11-28-39(44(31-35-20-12-7-13-21-35)42(45)48-33-37-24-16-9-17-25-37)30-41(50-43(46)49-34-38-26-18-10-19-27-38)40(29-6-4-2)47-32-36-22-14-8-15-23-36/h3,7-10,12-27,39-41H,1,4-6,11,28-34H2,2H3/t39-,40-,41+/m0/s1
InChIKey COOWIMXVYSPKQC-YZBUDRBASA-N
Molecular Weight 677.882 g/mol
SMILES C(N([C@](C[C@@](OC(=O)OCc1ccccc1)([C@@](OCc1ccccc1)(CCCC)[H])[H])(CCCC=C)[H])Cc1ccccc1)(OCc1ccccc1)=O
SPLASH splash10-024l-0596620000-ca0d86d2c89774901533
Source of Spectrum F-47-9345-24
Synonyms benzyl (1R,3S)-3-{benzyl[(benzyloxy)carbonyl]amino}-1-[(1S)-1-(benzyloxy)pentyl]-7-octenyl carbonate
Wiley ID 1414220