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Acetylniazicin A
SpectraBase Compound ID DUbBpt6Vx02
InChI InChI=1S/C21H27NO9S/c1-11-17(28-12(2)23)18(29-13(3)24)19(30-14(4)25)20(27-11)31-16-8-6-15(7-9-16)10-22-21(32)26-5/h6-9,11,17-20H,10H2,1-5H3,(H,22,32)/t11?,17-,18-,19?,20+/m1/s1
InChIKey IIJDSGYHWDZVCW-UMNQENLZSA-N
Mol Weight 469.51 g/mol
Molecular Formula C21H27NO9S
Exact Mass 469.140653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlzG7xuOnmC
Name Acetylniazicin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO9S
InChI InChI=1S/C21H27NO9S/c1-11-17(28-12(2)23)18(29-13(3)24)19(30-14(4)25)20(27-11)31-16-8-6-15(7-9-16)10-22-21(32)26-5/h6-9,11,17-20H,10H2,1-5H3,(H,22,32)/t11?,17-,18-,19?,20+/m1/s1
InChIKey IIJDSGYHWDZVCW-UMNQENLZSA-N
Molecular Weight 469.505 g/mol
SMILES N(C(=S)OC)Cc1ccc(O[C@]2(C([C@@]([C@](OC(=O)C)(C(O2)C)[H])(OC(=O)C)[H])OC(=O)C)[H])cc1
SPLASH splash10-03di-0910000000-cf5b90fcc2e3b3d3a9bf
Source of Spectrum KC-0-3039-6
Synonyms Diacetylniazinin A O-methyl 4-[(2,3,4-tri-O-acetyl-6-deoxyhexopyranosyl)oxy]benzylthiocarbamate
Wiley ID 782336