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1,3-Benzothiazole-3-propanoic acid, 2,3-dihydro-2-oxo-, 3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl ester
SpectraBase Compound ID 8c6rLbY0jCx
InChI InChI=1S/C24H28N2O11S/c1-12(27)25-20-22(35-15(4)30)21(34-14(3)29)17(11-33-13(2)28)36-23(20)37-19(31)9-10-26-16-7-5-6-8-18(16)38-24(26)32/h5-8,17,20-23H,9-11H2,1-4H3,(H,25,27)/t17-,20-,21-,22-,23+/m1/s1
InChIKey YLWMXRJBTNFXGQ-IPGHSNRCSA-N
Mol Weight 552.55 g/mol
Molecular Formula C24H28N2O11S
Exact Mass 552.141381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Mfhyop6XWR
Name 1,3-Benzothiazole-3-propanoic acid, 2,3-dihydro-2-oxo-, 3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl ester
Alternate Name(s) 4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl 3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanoate 3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid [3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl] ester [3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate [3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl] 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate [3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate
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Formula C24H28N2O11S
InChI InChI=1S/C24H28N2O11S/c1-12(27)25-20-22(35-15(4)30)21(34-14(3)29)17(11-33-13(2)28)36-23(20)37-19(31)9-10-26-16-7-5-6-8-18(16)38-24(26)32/h5-8,17,20-23H,9-11H2,1-4H3,(H,25,27)/t17-,20-,21-,22-,23+/m1/s1
InChIKey YLWMXRJBTNFXGQ-IPGHSNRCSA-N
Molecular Weight 552.551 g/mol
SMILES N([C@]1([C@](OC(CCN2C(Sc3ccccc23)=O)=O)(O[C@@]([C@]([C@@]1(OC(C)=O)[H])(OC(C)=O)[H])(COC(C)=O)[H])[H])[H])C(C)=O
SPLASH splash10-0006-9510000000-363abba3bfba77ac32a9
Source of Spectrum IY-2-5037-9
Wiley ID 1658362