![acetic acid [(2R,3R,4S,5S,6R)-3,5-diacetoxy-2-(acetoxymethyl)-6-[4-[2-[2-[2-[[4-[(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxyphenyl]thiocarbamoylamino]ethoxy]ethoxy]ethylthiocarbamoylamino]phenoxy]tetrahydropyran-4-yl] ester](/api/spectrum/7sd63VxvmNR/structure.png?h=300&w=458 "acetic acid [(2R,3R,4S,5S,6R)-3,5-diacetoxy-2-(acetoxymethyl)-6-[4-[2-[2-[2-[[4-[(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxyphenyl]thiocarbamoylamino]ethoxy]ethoxy]ethylthiocarbamoylamino]phenoxy]tetrahydropyran-4-yl] ester")
| SpectraBase Compound ID | JXjstbDt68h |
|---|---|
| InChI | InChI=1S/C48H62N4O22S2/c1-25(53)63-23-37-39(65-27(3)55)41(67-29(5)57)43(69-31(7)59)45(73-37)71-35-13-9-33(10-14-35)51-47(75)49-17-19-61-21-22-62-20-18-50-48(76)52-34-11-15-36(16-12-34)72-46-44(70-32(8)60)42(68-30(6)58)40(66-28(4)56)38(74-46)24-64-26(2)54/h9-16,37-46H,17-24H2,1-8H3,(H2,49,51,75)(H2,50,52,76)/t37-,38-,39-,40-,41+,42+,43+,44+,45+,46+/m1/s1 |
| InChIKey | SCVFOIOFBQKQLW-WCBQOOQLSA-N |
| Mol Weight | 1111.1 g/mol |
| Molecular Formula | C48H62N4O22S2 |
| Exact Mass | 1110.329712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7sd63VxvmNR |
|---|---|
| Name | acetic acid [(2R,3R,4S,5S,6R)-3,5-diacetoxy-2-(acetoxymethyl)-6-[4-[2-[2-[2-[[4-[(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxyphenyl]thiocarbamoylamino]ethoxy]ethoxy]ethylthiocarbamoylamino]phenoxy]tetrahydropyran-4-yl] ester |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H62N4O22S2 |
| InChI | InChI=1S/C48H62N4O22S2/c1-25(53)63-23-37-39(65-27(3)55)41(67-29(5)57)43(69-31(7)59)45(73-37)71-35-13-9-33(10-14-35)51-47(75)49-17-19-61-21-22-62-20-18-50-48(76)52-34-11-15-36(16-12-34)72-46-44(70-32(8)60)42(68-30(6)58)40(66-28(4)56)38(74-46)24-64-26(2)54/h9-16,37-46H,17-24H2,1-8H3,(H2,49,51,75)(H2,50,52,76)/t37-,38-,39-,40-,41+,42+,43+,44+,45+,46+/m1/s1 |
| InChIKey | SCVFOIOFBQKQLW-WCBQOOQLSA-N |
| Literature Reference Author | M.WALTER,T.K.LINDHORST |
| Literature Reference Citation | MH.CHEM.,133,473(2002) |
| Literature Reference DOI | 10.1007/s007060200022 |
| Molecular Weight | 1111.154 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWKP11540 |