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(3R,4R,5S)-4-(allylamino)-3-(1-ethylpropoxy)-5-hydroxy-cyclohexene-1-carboxylic acid ethyl ester
SpectraBase Compound ID LgpDiefPu5a
InChI InChI=1S/C17H29NO4/c1-5-9-18-16-14(19)10-12(17(20)21-8-4)11-15(16)22-13(6-2)7-3/h5,11,13-16,18-19H,1,6-10H2,2-4H3/t14-,15+,16+/m0/s1
InChIKey DGKLSVIFOLGKHO-ARFHVFGLSA-N
Mol Weight 311.42 g/mol
Molecular Formula C17H29NO4
Exact Mass 311.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GA9PNX2hwRd
Name (3R,4R,5S)-4-(allylamino)-3-(1-ethylpropoxy)-5-hydroxy-cyclohexene-1-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29NO4
InChI InChI=1S/C17H29NO4/c1-5-9-18-16-14(19)10-12(17(20)21-8-4)11-15(16)22-13(6-2)7-3/h5,11,13-16,18-19H,1,6-10H2,2-4H3/t14-,15+,16+/m0/s1
InChIKey DGKLSVIFOLGKHO-ARFHVFGLSA-N
Molecular Weight 311.422 g/mol
SMILES O[C@@]1([C@]([C@@](C=C(C1)C(=O)OCC)(OC(CC)CC)[H])(NCC=C)[H])[H]
SPLASH splash10-0002-9110000000-95d8d528ed0c1a5197f1
Source of Spectrum J-66-2048-19
Synonyms (3R,4R,5S)-5-hydroxy-3-pentan-3-yloxy-4-(prop-2-enylamino)-1-cyclohexenecarboxylic acid ethyl ester Ethyl (3R,4R,5S)-4-(allylamino)-3-(1-ethylpropoxy)-5-hydroxy-cyclohexene-1-carboxylate Ethyl (3R,4R,5S)-5-hydroxy-3-pentan-3-yloxy-4-(prop-2-enylamino)cyclohexene-1-carboxylate Ethyl (3R,4R,5S)-5-oxidanyl-3-pentan-3-yloxy-4-(prop-2-enylamino)cyclohexene-1-carboxylate
Wiley ID 1534845