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(2S)-2-(2,3,4,6-Tetra-O-acetyl-.beta.,D-glucopyranosyloxy)-2H-1,4-benzoxazin-3(4H)-one
SpectraBase Compound ID BGnka1fRy39
InChI InChI=1S/C22H25NO12/c1-10(24)29-9-16-17(30-11(2)25)18(31-12(3)26)19(32-13(4)27)21(34-16)35-22-20(28)23-14-7-5-6-8-15(14)33-22/h5-8,16-19,21-22H,9H2,1-4H3,(H,23,28)/t16-,17-,18+,19-,21+,22+/m1/s1
InChIKey FVNUMIHMVXSEGV-BHNQRHOYSA-N
Mol Weight 495.44 g/mol
Molecular Formula C22H25NO12
Exact Mass 495.137675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QuZhwLIUrH
Name (2S)-2-(2,3,4,6-Tetra-O-acetyl-.beta.,D-glucopyranosyloxy)-2H-1,4-benzoxazin-3(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO12
InChI InChI=1S/C22H25NO12/c1-10(24)29-9-16-17(30-11(2)25)18(31-12(3)26)19(32-13(4)27)21(34-16)35-22-20(28)23-14-7-5-6-8-15(14)33-22/h5-8,16-19,21-22H,9H2,1-4H3,(H,23,28)/t16-,17-,18+,19-,21+,22+/m1/s1
InChIKey FVNUMIHMVXSEGV-BHNQRHOYSA-N
Molecular Weight 495.437 g/mol
SMILES N1c2c(O[C@](C1=O)(O[C@]1([C@@]([C@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])[H])cccc2
SPLASH splash10-05mo-6901000000-10b2f045da1fa82d7cb5
Source of Spectrum SO-0-1120-8
Synonyms (2S)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl 2,3,4,6-tetra-O-acetylhexopyranoside
Wiley ID 1542757