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2,6-Anhydro-1-deoxy-3,4 : 5,7-di( O-benzylidene)-1-nitro-D-glycero-D-gulo-heptitol
SpectraBase Compound ID 491OATg36El
InChI InChI=1S/C21H21NO7/c23-22(24)11-15-17-19(29-21(28-17)14-9-5-2-6-10-14)18-16(26-15)12-25-20(27-18)13-7-3-1-4-8-13/h1-10,15-21H,11-12H2/t15-,16+,17+,18+,19+,20+,21+/m0/s1
InChIKey BCHFCSJUDWHYQP-HOLKMYPKSA-N
Mol Weight 399.4 g/mol
Molecular Formula C21H21NO7
Exact Mass 399.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGeenneZudF
Name 2,6-Anhydro-1-deoxy-3,4 : 5,7-di( O-benzylidene)-1-nitro-D-glycero-D-gulo-heptitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO7
InChI InChI=1S/C21H21NO7/c23-22(24)11-15-17-19(29-21(28-17)14-9-5-2-6-10-14)18-16(26-15)12-25-20(27-18)13-7-3-1-4-8-13/h1-10,15-21H,11-12H2/t15-,16+,17+,18+,19+,20+,21+/m0/s1
InChIKey BCHFCSJUDWHYQP-HOLKMYPKSA-N
Molecular Weight 399.399 g/mol
SMILES [C@@]12([C@@]([C@](CN(=O)=O)(O[C@]3([C@]2(O[C@](c2ccccc2)(OC3)[H])[H])[H])[H])(O[C@](O1)(c1ccccc1)[H])[H])[H]
SPLASH splash10-0a4l-3911000000-0f5fa569f19721683325
Source of Spectrum O-34-1324-11
Synonyms 2,6-Anhydro-3,4 : 5,7-bis( O-benzylidene)-1-deoxy-1-nitro-D-glycero-D-gulo-heptitol (1R,2R,4R,6R,7S,9R,12R)-7-(nitromethyl)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.0(2,6)]tridecane 2,6-Anhydro-3,4 : 5,7-bis(O-benzylidene)-1-deoxy-1-nitro-D-glycero-D-gulo-heptitol 2,6-Anhydro-1-deoxy-3,4 : 5,7-di(O-benzylidene)-1-nitro-D-glycero-D-gulo-heptitol
Wiley ID 763425