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2-Amino-5-cyano-3-[3'-(1',2':5',6'-diisopropylidene)-.alpha.,D-glucofuranoxycarbonyl]-4,6-diphenyl-4H-pyran
SpectraBase Compound ID 2vknevmRXER
InChI InChI=1S/C31H32N2O8/c1-30(2)35-16-20(39-30)24-25(26-29(38-24)41-31(3,4)40-26)37-28(34)22-21(17-11-7-5-8-12-17)19(15-32)23(36-27(22)33)18-13-9-6-10-14-18/h5-14,20-21,24-26,29H,16,33H2,1-4H3/t20-,21?,24-,25+,26+,29+/m1/s1
InChIKey QXGQAKKWMLWNPE-YMMKGNFVSA-N
Mol Weight 560.6 g/mol
Molecular Formula C31H32N2O8
Exact Mass 560.215866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GeOkvNvBpc
Name 2-Amino-5-cyano-3-[3'-(1',2':5',6'-diisopropylidene)-.alpha.,D-glucofuranoxycarbonyl]-4,6-diphenyl-4H-pyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H32N2O8
InChI InChI=1S/C31H32N2O8/c1-30(2)35-16-20(39-30)24-25(26-29(38-24)41-31(3,4)40-26)37-28(34)22-21(17-11-7-5-8-12-17)19(15-32)23(36-27(22)33)18-13-9-6-10-14-18/h5-14,20-21,24-26,29H,16,33H2,1-4H3/t20-,21?,24-,25+,26+,29+/m1/s1
InChIKey QXGQAKKWMLWNPE-YMMKGNFVSA-N
Molecular Weight 560.603 g/mol
SMILES NC1=C(C(C(=C(c2ccccc2)O1)C#N)c1ccccc1)C(O[C@@]1([C@]2([C@](OC(O2)(C)C)(O[C@@]1([C@@]1(OC(C)(C)OC1)[H])[H])[H])[H])[H])=O
SPLASH splash10-0uk9-0498220000-726f1464ab72f0ae14a9
Source of Spectrum QC-6-261-4
Wiley ID 868738