![acetic acid [(2R,3R,4S,5S,6S)-3,5-diacetoxy-2-(acetoxymethyl)-6-[2-[2-[2-[[(2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thiocarbamoylamino]ethoxy]ethoxy]ethylthiocarbamoylamino]tetrahydropyran-4-yl] ester](/api/spectrum/ILm6QGu4GGP/structure.png?h=300&w=458 "acetic acid [(2R,3R,4S,5S,6S)-3,5-diacetoxy-2-(acetoxymethyl)-6-[2-[2-[2-[[(2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thiocarbamoylamino]ethoxy]ethoxy]ethylthiocarbamoylamino]tetrahydropyran-4-yl] ester")
| SpectraBase Compound ID | DHrDwt9idtr |
|---|---|
| InChI | InChI=1S/C36H54N4O20S2/c1-17(41)51-15-25-27(53-19(3)43)29(55-21(5)45)31(57-23(7)47)33(59-25)39-35(61)37-9-11-49-13-14-50-12-10-38-36(62)40-34-32(58-24(8)48)30(56-22(6)46)28(54-20(4)44)26(60-34)16-52-18(2)42/h25-34H,9-16H2,1-8H3,(H2,37,39,61)(H2,38,40,62)/t25-,26-,27-,28-,29+,30+,31+,32+,33+,34+/m1/s1 |
| InChIKey | DYBBFCXFSAOLND-PFGCYNCBSA-N |
| Mol Weight | 927.0 g/mol |
| Molecular Formula | C36H54N4O20S2 |
| Exact Mass | 926.277282 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ILm6QGu4GGP |
|---|---|
| Name | acetic acid [(2R,3R,4S,5S,6S)-3,5-diacetoxy-2-(acetoxymethyl)-6-[2-[2-[2-[[(2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thiocarbamoylamino]ethoxy]ethoxy]ethylthiocarbamoylamino]tetrahydropyran-4-yl] ester |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54N4O20S2 |
| InChI | InChI=1S/C36H54N4O20S2/c1-17(41)51-15-25-27(53-19(3)43)29(55-21(5)45)31(57-23(7)47)33(59-25)39-35(61)37-9-11-49-13-14-50-12-10-38-36(62)40-34-32(58-24(8)48)30(56-22(6)46)28(54-20(4)44)26(60-34)16-52-18(2)42/h25-34H,9-16H2,1-8H3,(H2,37,39,61)(H2,38,40,62)/t25-,26-,27-,28-,29+,30+,31+,32+,33+,34+/m1/s1 |
| InChIKey | DYBBFCXFSAOLND-PFGCYNCBSA-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 | 926.960 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWKP11536 |