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1-Piperidinecarboxylic acid, 6-dodecyl-3-(methoxymethoxy)-2-methyl-, phenylmethyl ester, [2R-(2.alpha.,3.alpha.,6.alpha.)]-
SpectraBase Compound ID LqXux2QGl02
InChI InChI=1S/C28H47NO4/c1-4-5-6-7-8-9-10-11-12-16-19-26-20-21-27(33-23-31-3)24(2)29(26)28(30)32-22-25-17-14-13-15-18-25/h13-15,17-18,24,26-27H,4-12,16,19-23H2,1-3H3/t24-,26+,27-/m1/s1
InChIKey CVARETHBHGBANN-FXVJXKIMSA-N
Mol Weight 461.7 g/mol
Molecular Formula C28H47NO4
Exact Mass 461.350509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kf9yf9pCRUU
Name 1-Piperidinecarboxylic acid, 6-dodecyl-3-(methoxymethoxy)-2-methyl-, phenylmethyl ester, [2R-(2.alpha.,3.alpha.,6.alpha.)]-
Alternate Name(s) (2R,3R,6S)-N-benzyloxycarbonyl-3-O-methoxymethyldeoxocassine benzyl (2R,3R,6S)-6-dodecyl-3-(methoxymethoxy)-2-methyl-1-piperidinecarboxylate
CAS Registry Number 105594-79-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H47NO4
InChI InChI=1S/C28H47NO4/c1-4-5-6-7-8-9-10-11-12-16-19-26-20-21-27(33-23-31-3)24(2)29(26)28(30)32-22-25-17-14-13-15-18-25/h13-15,17-18,24,26-27H,4-12,16,19-23H2,1-3H3/t24-,26+,27-/m1/s1
InChIKey CVARETHBHGBANN-FXVJXKIMSA-N
Molecular Weight 461.687 g/mol
SMILES C(N1[C@@]([C@](OCOC)(CC[C@@]1(CCCCCCCCCCCC)[H])[H])(C)[H])(OCc1ccccc1)=O
SPLASH splash10-0006-9030000000-d73782009f6d653522ee
Source of Spectrum AJ-58-3343-20
Wiley ID 1390832