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5-[(2',3',6'-Tri-O-acetyl-4'-O-2",3",4",6"-tetra-O-acetyl-.alpha.-D-glucopyranosyl)-(.beta.-D-glucopyranosyl-thio)]-4-chloro-1,2-dithiol-3-thione
SpectraBase Compound ID 4Mw0vkMuocP
InChI InChI=1S/C29H35ClO17S4/c1-10(31)38-8-17-20(40-12(3)33)22(41-13(4)34)24(43-15(6)36)26(45-17)47-21-18(9-39-11(2)32)46-27(49-29-19(30)28(48)50-51-29)25(44-16(7)37)23(21)42-14(5)35/h17-18,20-27H,8-9H2,1-7H3/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27+/m1/s1
InChIKey FLJRRZIEMRNAQY-WJICQFJPSA-N
Mol Weight 819.3 g/mol
Molecular Formula C29H35ClO17S4
Exact Mass 818.044562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oNmo0DaMAP
Name 5-[(2',3',6'-Tri-O-acetyl-4'-O-2",3",4",6"-tetra-O-acetyl-.alpha.-D-glucopyranosyl)-(.beta.-D-glucopyranosyl-thio)]-4-chloro-1,2-dithiol-3-thione
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Formula C29H35ClO17S4
InChI InChI=1S/C29H35ClO17S4/c1-10(31)38-8-17-20(40-12(3)33)22(41-13(4)34)24(43-15(6)36)26(45-17)47-21-18(9-39-11(2)32)46-27(49-29-19(30)28(48)50-51-29)25(44-16(7)37)23(21)42-14(5)35/h17-18,20-27H,8-9H2,1-7H3/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27+/m1/s1
InChIKey FLJRRZIEMRNAQY-WJICQFJPSA-N
Instrument Name AMD-604S??
Ionization Type EI
Molecular Weight 819.275 g/mol
Optical Rotation [a]D20 = +2.4 (c = 0.2, CHCl3)
SMILES [C@]1([C@@]([C@]([C@](SC=2SSC(=S)C2Cl)(O[C@@]1(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(C)=O)[H])(O[C@@]1([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])[H]
SPLASH splash10-067l-4912010000-0880b35ec48d22e49087
Source of Spectrum RU2534525C9
Thin-Layer Chromatography Rf = 0.19
Wiley ID 1852785