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2,5-Di-O-acetyl-4-O-formyl-3-O-(2,3,4,6-tetra-O-acetyl-.beta.,D-galactopyranosyl)-D-arabinononitrile
SpectraBase Compound ID G4SvZRT3wUT
InChI InChI=1S/C24H31NO16/c1-11(27)33-8-18(35-10-26)20(17(7-25)36-13(3)29)41-24-23(39-16(6)32)22(38-15(5)31)21(37-14(4)30)19(40-24)9-34-12(2)28/h10,17-24H,8-9H2,1-6H3/t17-,18-,19-,20+,21+,22+,23-,24+/m1/s1
InChIKey LRMJDZBHGSCDOD-AXHDHDPASA-N
Mol Weight 589.5 g/mol
Molecular Formula C24H31NO16
Exact Mass 589.164284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JePXs5CXanS
Name 2,5-Di-O-acetyl-4-O-formyl-3-O-(2,3,4,6-tetra-O-acetyl-.beta.,D-galactopyranosyl)-D-arabinononitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31NO16
InChI InChI=1S/C24H31NO16/c1-11(27)33-8-18(35-10-26)20(17(7-25)36-13(3)29)41-24-23(39-16(6)32)22(38-15(5)31)21(37-14(4)30)19(40-24)9-34-12(2)28/h10,17-24H,8-9H2,1-6H3/t17-,18-,19-,20+,21+,22+,23-,24+/m1/s1
InChIKey LRMJDZBHGSCDOD-AXHDHDPASA-N
Molecular Weight 589.503 g/mol
SMILES [C@@]1([C@]([C@@](OC(=O)C)([C@](O[C@]1(O[C@@]([C@@](C#N)(OC(=O)C)[H])([C@@](COC(=O)C)(OC=O)[H])[H])[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-0159-0905000000-cad6d63382d75b0a1b01
Source of Spectrum F-69-8441-16
Synonyms (1R,2S,3R)-4-(acetyloxy)-1-cyano-3-(formyloxy)-2-{[(2S,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}butyl acetate
Wiley ID 1595866