![acetic acid [(2R,3R,4S,5S,6S)-3,5-diacetoxy-2-(acetoxymethyl)-6-[4-[2-[2-[2-[[4-[[(2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxymethyl]phenyl]thiocarbamoylamino]ethoxy]ethoxy]ethylthiocarbamoylamino]benzyl]oxy-tetrahydropyran-](/api/spectrum/IFQw01U4d5q/structure.png?h=300&w=458 "acetic acid [(2R,3R,4S,5S,6S)-3,5-diacetoxy-2-(acetoxymethyl)-6-[4-[2-[2-[2-[[4-[[(2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxymethyl]phenyl]thiocarbamoylamino]ethoxy]ethoxy]ethylthiocarbamoylamino]benzyl]oxy-tetrahydropyran-")
| SpectraBase Compound ID | 6VApR1o22SV |
|---|---|
| InChI | InChI=1S/C50H66N4O22S2/c1-27(55)65-25-39-41(69-29(3)57)43(71-31(5)59)45(73-33(7)61)47(75-39)67-23-35-9-13-37(14-10-35)53-49(77)51-17-19-63-21-22-64-20-18-52-50(78)54-38-15-11-36(12-16-38)24-68-48-46(74-34(8)62)44(72-32(6)60)42(70-30(4)58)40(76-48)26-66-28(2)56/h9-16,39-48H,17-26H2,1-8H3,(H2,51,53,77)(H2,52,54,78)/t39-,40-,41-,42-,43+,44+,45+,46+,47+,48+/m1/s1 |
| InChIKey | PBIJYIXLQHZEHL-NRGBQFJPSA-N |
| Mol Weight | 1139.2 g/mol |
| Molecular Formula | C50H66N4O22S2 |
| Exact Mass | 1138.361012 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IFQw01U4d5q |
|---|---|
| Name | acetic acid [(2R,3R,4S,5S,6S)-3,5-diacetoxy-2-(acetoxymethyl)-6-[4-[2-[2-[2-[[4-[[(2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxymethyl]phenyl]thiocarbamoylamino]ethoxy]ethoxy]ethylthiocarbamoylamino]benzyl]oxy-tetrahydropyran- |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H66N4O22S2 |
| InChI | InChI=1S/C50H66N4O22S2/c1-27(55)65-25-39-41(69-29(3)57)43(71-31(5)59)45(73-33(7)61)47(75-39)67-23-35-9-13-37(14-10-35)53-49(77)51-17-19-63-21-22-64-20-18-52-50(78)54-38-15-11-36(12-16-38)24-68-48-46(74-34(8)62)44(72-32(6)60)42(70-30(4)58)40(76-48)26-66-28(2)56/h9-16,39-48H,17-26H2,1-8H3,(H2,51,53,77)(H2,52,54,78)/t39-,40-,41-,42-,43+,44+,45+,46+,47+,48+/m1/s1 |
| InChIKey | PBIJYIXLQHZEHL-NRGBQFJPSA-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 | 1139.208 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWKP11539 |