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[6S,8R,9S]-6-[N-Benzyl-N-[(benzyloxy)carbonyl]amino]-9-(benzyloxy)-8-[(benzyloxy)carbonyl]oxy]tridecan-2-one
SpectraBase Compound ID DzKLntZ11Rq
InChI InChI=1S/C43H51NO7/c1-3-4-28-40(48-31-36-21-11-6-12-22-36)41(51-43(47)50-33-38-25-15-8-16-26-38)29-39(27-17-18-34(2)45)44(30-35-19-9-5-10-20-35)42(46)49-32-37-23-13-7-14-24-37/h5-16,19-26,39-41H,3-4,17-18,27-33H2,1-2H3/t39-,40-,41+/m0/s1
InChIKey WHPHUMFJGWOOFC-YZBUDRBASA-N
Mol Weight 693.9 g/mol
Molecular Formula C43H51NO7
Exact Mass 693.366553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVPyz5XPg6z
Name [6S,8R,9S]-6-[N-Benzyl-N-[(benzyloxy)carbonyl]amino]-9-(benzyloxy)-8-[(benzyloxy)carbonyl]oxy]tridecan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H51NO7
InChI InChI=1S/C43H51NO7/c1-3-4-28-40(48-31-36-21-11-6-12-22-36)41(51-43(47)50-33-38-25-15-8-16-26-38)29-39(27-17-18-34(2)45)44(30-35-19-9-5-10-20-35)42(46)49-32-37-23-13-7-14-24-37/h5-16,19-26,39-41H,3-4,17-18,27-33H2,1-2H3/t39-,40-,41+/m0/s1
InChIKey WHPHUMFJGWOOFC-YZBUDRBASA-N
Molecular Weight 693.881 g/mol
SMILES C(N([C@](C[C@@](OC(=O)OCc1ccccc1)([C@@](OCc1ccccc1)(CCCC)[H])[H])(CCCC(=O)C)[H])Cc1ccccc1)(OCc1ccccc1)=O
SPLASH splash10-06rl-0194420000-37c5be958cbd20f552d7
Source of Spectrum F-47-9345-25
Synonyms benzyl (1R,3S)-3-{benzyl[(benzyloxy)carbonyl]amino}-1-[(1S)-1-(benzyloxy)pentyl]-7-oxooctyl carbonate
Wiley ID 1414833