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(1.alpha.,2.alpha.,3.beta.,6.beta.)-3-Phenylacetylamino-6-acetylaminocyclohex-4-ene-1,2-diol diacetate
SpectraBase Compound ID 4y3sXaiyNft
InChI InChI=1S/C20H24N2O6/c1-12(23)21-16-9-10-17(20(28-14(3)25)19(16)27-13(2)24)22-18(26)11-15-7-5-4-6-8-15/h4-10,16-17,19-20H,11H2,1-3H3,(H,21,23)(H,22,26)/t16-,17+,19+,20-/m1/s1
InChIKey ZQTVXINPFYWOAN-LCLWPZTBSA-N
Mol Weight 388.42 g/mol
Molecular Formula C20H24N2O6
Exact Mass 388.163436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FX47BYdbBJj
Name (1.alpha.,2.alpha.,3.beta.,6.beta.)-3-Phenylacetylamino-6-acetylaminocyclohex-4-ene-1,2-diol diacetate
Alternate Name(s) (1R,2S,5R,6S)-5-(acetylamino)-6-(acetyloxy)-2-[(phenylacetyl)amino]-3-cyclohexen-1-yl acetate Acetic acid (1R,2S,5R,6S)-6-acetoxy-5-acetylamino-2-phenylacetylamino-cyclohex-3-enyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O6
InChI InChI=1S/C20H24N2O6/c1-12(23)21-16-9-10-17(20(28-14(3)25)19(16)27-13(2)24)22-18(26)11-15-7-5-4-6-8-15/h4-10,16-17,19-20H,11H2,1-3H3,(H,21,23)(H,22,26)/t16-,17+,19+,20-/m1/s1
InChIKey ZQTVXINPFYWOAN-LCLWPZTBSA-N
Molecular Weight 388.420 g/mol
SMILES N([C@@]1([C@]([C@]([C@@](C=C1)(NC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])C(=O)Cc1ccccc1
SPLASH splash10-0006-5970000000-4751b5650edc5102c381
Source of Spectrum AT-38-5488-4
Wiley ID 853932