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 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
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 |