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2-Benzothiazolylthioacetyl O-(2:3,5:6-di-O-isopropylidene-a-D-mannofuranosyl) L-serine methyl ester
SpectraBase Compound ID 1ZM8DyTMZ0N
InChI InChI=1S/C25H32N2O9S2/c1-24(2)32-11-15(34-24)18-19-20(36-25(3,4)35-19)22(33-18)31-10-14(21(29)30-5)26-17(28)12-37-23-27-13-8-6-7-9-16(13)38-23/h6-9,14-15,18-20,22H,10-12H2,1-5H3,(H,26,28)/t14?,15-,18+,19-,20-,22-/m0/s1
InChIKey VLUKIXJBFGDGEF-SQZUDRDJSA-N
Mol Weight 568.7 g/mol
Molecular Formula C25H32N2O9S2
Exact Mass 568.154923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RZlt2N2jy3
Name 2-Benzothiazolylthioacetyl O-(2:3,5:6-di-O-isopropylidene-a-D-mannofuranosyl) L-serine methyl ester
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32N2O9S2
InChI InChI=1S/C25H32N2O9S2/c1-24(2)32-11-15(34-24)18-19-20(36-25(3,4)35-19)22(33-18)31-10-14(21(29)30-5)26-17(28)12-37-23-27-13-8-6-7-9-16(13)38-23/h6-9,14-15,18-20,22H,10-12H2,1-5H3,(H,26,28)/t14?,15-,18+,19-,20-,22-/m0/s1
InChIKey VLUKIXJBFGDGEF-SQZUDRDJSA-N
Instrument Name Shimadzu GC-MSQP 1000EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.925
Molecular Weight 568.656 g/mol
SMILES N(C(CSc1nc2c(cccc2)s1)=O)C(C(OC)=O)CO[C@@]1([C@@]2([C@]([C@](O1)([C@]1(OC(OC1)(C)C)[H])[H])(OC(O2)(C)C)[H])[H])[H]
SPLASH splash10-0api-0961000000-d4a814822bc10ee10deb
Source of Spectrum ARK-2011-349-10a
Thin-Layer Chromatography Rf = 0.76 (Ethyl acetate/Petroleum ether, 2:1)
Wiley ID 1864506