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(2S,3S)-O1-Hexanoyl-3-dibenzylamino-5-methylhexane-1,2-diol
SpectraBase Compound ID 6rhkVQsMo8O
InChI InChI=1S/C27H39NO3/c1-4-5-8-17-27(30)31-21-26(29)25(18-22(2)3)28(19-23-13-9-6-10-14-23)20-24-15-11-7-12-16-24/h6-7,9-16,22,25-26,29H,4-5,8,17-21H2,1-3H3/t25-,26+/m0/s1
InChIKey QZVFMGPBMKBFFB-IZZNHLLZSA-N
Mol Weight 425.6 g/mol
Molecular Formula C27H39NO3
Exact Mass 425.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yEbEkCpUD1
Name (2S,3S)-O1-Hexanoyl-3-dibenzylamino-5-methylhexane-1,2-diol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H39NO3
InChI InChI=1S/C27H39NO3/c1-4-5-8-17-27(30)31-21-26(29)25(18-22(2)3)28(19-23-13-9-6-10-14-23)20-24-15-11-7-12-16-24/h6-7,9-16,22,25-26,29H,4-5,8,17-21H2,1-3H3/t25-,26+/m0/s1
InChIKey QZVFMGPBMKBFFB-IZZNHLLZSA-N
Molecular Weight 425.613 g/mol
SMILES O[C@](COC(CCCCC)=O)([C@](CC(C)C)(N(Cc1ccccc1)Cc1ccccc1)[H])[H]
SPLASH splash10-0aor-0941000000-764d975e59087e8f4d3e
Source of Spectrum F-70-10353-9
Synonyms Hexanoic acid[(2S,3S)-3-(dibenzylamino)-2-hydroxy-5-methyl-hexyl]ester Hexanoic acid[(2S,3S)-3-[bis(phenylmethyl)amino]-2-hydroxy-5-methylhexyl]ester [(2S,3S)-3-(dibenzylamino)-2-hydroxy-5-methyl-hexyl]hexanoate [(2S,3S)-3-[bis(phenylmethyl)amino]-5-methyl-2-oxidanyl-hexyl]hexanoate Hexanoic acid [(2S,3S)-3-[bis(phenylmethyl)amino]-2-hydroxy-5-methylhexyl] ester [(2S,3S)-3-(dibenzylamino)-2-hydroxy-5-methylhexyl] hexanoate [(2S,3S)-3-(dibenzylamino)-2-hydroxy-5-methyl-hexyl] hexanoate [(2S,3S)-3-[bis(phenylmethyl)amino]-5-methyl-2-oxidanyl-hexyl] hexanoate
Wiley ID 1597990