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Ethyl 2-(4,6-Di-O-benzyl-2,3-dideoxy-.alpha.-D-erythro-hex-2-enopyranosyl)-2-nitro-2-(ethoxycarbonyl)acetate
SpectraBase Compound ID FhZrHEpViVk
InChI InChI=1S/C27H31NO9/c1-3-34-25(29)27(28(31)32,26(30)35-4-2)24-16-15-22(36-18-21-13-9-6-10-14-21)23(37-24)19-33-17-20-11-7-5-8-12-20/h5-16,22-24H,3-4,17-19H2,1-2H3/t22-,23?,24-/m0/s1
InChIKey NJMZWKSWXHLBNY-OTKIHZFJSA-N
Mol Weight 513.54 g/mol
Molecular Formula C27H31NO9
Exact Mass 513.199882 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bdVMmXjfe4
Name Ethyl 2-(4,6-Di-O-benzyl-2,3-dideoxy-.alpha.-D-erythro-hex-2-enopyranosyl)-2-nitro-2-(ethoxycarbonyl)acetate
Alternate Name(s) Ethyl 3,7-anhydro-6,8-di-O-benzyl-2,4,5-trideoxy-2-(ethoxycarbonyl)-2-nitro-D-lyxo-oct-4-enonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31NO9
InChI InChI=1S/C27H31NO9/c1-3-34-25(29)27(28(31)32,26(30)35-4-2)24-16-15-22(36-18-21-13-9-6-10-14-21)23(37-24)19-33-17-20-11-7-5-8-12-20/h5-16,22-24H,3-4,17-19H2,1-2H3/t22-,23?,24-/m0/s1
InChIKey NJMZWKSWXHLBNY-OTKIHZFJSA-N
Molecular Weight 513.543 g/mol
SMILES C(N(=O)=O)([C@]1(OC([C@@](OCc2ccccc2)(C=C1)[H])COCc1ccccc1)[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-00kf-9711000000-8b47dfe26d521da858b1
Source of Spectrum O-26-86-3
Wiley ID 1400968