| SpectraBase Compound ID | 6Hax2w0C3tO |
|---|---|
| InChI | InChI=1S/C62H78O38S4/c1-21(63)81-17-37-43(85-25(5)67)47(89-29(9)71)51(93-33(13)75)59(97-37)101-55-41(79)57(103-61-53(95-35(15)77)49(91-31(11)73)45(87-27(7)69)39(99-61)19-83-23(3)65)58(104-62-54(96-36(16)78)50(92-32(12)74)46(88-28(8)70)40(100-62)20-84-24(4)66)42(80)56(55)102-60-52(94-34(14)76)48(90-30(10)72)44(86-26(6)68)38(98-60)18-82-22(2)64/h37-40,43-54,59-62,79-80H,17-20H2,1-16H3/t37-,38+,39+,40-,43-,44+,45+,46-,47+,48-,49-,50+,51-,52+,53+,54-,59+,60-,61-,62+ |
| InChIKey | VWHOMXFARDVRKF-JOGGSDOYSA-N |
| Mol Weight | 1559.5 g/mol |
| Molecular Formula | C62H78O38S4 |
| Exact Mass | 1558.305393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HoiwekuzA8s |
|---|---|
| Name | 2,3,5,6-TETRAKIS-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLTHIO)-BENZENE-1,4-DIOL |
| Compound Number | 37 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H78O38S4 |
| InChI | InChI=1S/C62H78O38S4/c1-21(63)81-17-37-43(85-25(5)67)47(89-29(9)71)51(93-33(13)75)59(97-37)101-55-41(79)57(103-61-53(95-35(15)77)49(91-31(11)73)45(87-27(7)69)39(99-61)19-83-23(3)65)58(104-62-54(96-36(16)78)50(92-32(12)74)46(88-28(8)70)40(100-62)20-84-24(4)66)42(80)56(55)102-60-52(94-34(14)76)48(90-30(10)72)44(86-26(6)68)38(98-60)18-82-22(2)64/h37-40,43-54,59-62,79-80H,17-20H2,1-16H3/t37-,38+,39+,40-,43-,44+,45+,46-,47+,48-,49-,50+,51-,52+,53+,54-,59+,60-,61-,62+ |
| InChIKey | VWHOMXFARDVRKF-JOGGSDOYSA-N |
| Literature Reference Author | M.SCHNABELRAUCH,A.VASELLA,S.G.WITHERS |
| Literature Reference Citation | HELV.CHIM.ACTA,77,778(1994) |
| Literature Reference DOI | 10.1002/hlca.19940770319 |
| Molecular Weight | 1559.519 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSK2903 |