![OCT-O-[3-(ALPHA-D-MANNOPYRANOSYLTHIOUREIDO)-PROPYL]-ALPHA-D-TREHALOSE](/api/spectrum/7aCvsdhJAKL/structure.png?h=300&w=458 "OCT-O-[3-(ALPHA-D-MANNOPYRANOSYLTHIOUREIDO)-PROPYL]-ALPHA-D-TREHALOSE")
| SpectraBase Compound ID | KRJmk0z0k5p |
|---|---|
| InChI | InChI=1S/C50H100N10O21S2/c51-9-1-19-71-39-31(27-69-17-7-15-57-49(82)59-45-37(67)35(65)33(63)29(25-61)77-45)79-47(43(75-23-5-13-55)41(39)73-21-3-11-53)81-48-44(76-24-6-14-56)42(74-22-4-12-54)40(72-20-2-10-52)32(80-48)28-70-18-8-16-58-50(83)60-46-38(68)36(66)34(64)30(26-62)78-46/h29-48,61-68H,1-28,51-56H2,(H2,57,59,82)(H2,58,60,83) |
| InChIKey | OCGCBHFXSHRZJS-UHFFFAOYSA-N |
| Mol Weight | 1241.5 g/mol |
| Molecular Formula | C50H100N10O21S2 |
| Exact Mass | 1240.650593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7aCvsdhJAKL |
|---|---|
| Name | OCT-O-[3-(ALPHA-D-MANNOPYRANOSYLTHIOUREIDO)-PROPYL]-ALPHA-D-TREHALOSE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H100N10O21S2 |
| InChI | InChI=1S/C50H100N10O21S2/c51-9-1-19-71-39-31(27-69-17-7-15-57-49(82)59-45-37(67)35(65)33(63)29(25-61)77-45)79-47(43(75-23-5-13-55)41(39)73-21-3-11-53)81-48-44(76-24-6-14-56)42(74-22-4-12-54)40(72-20-2-10-52)32(80-48)28-70-18-8-16-58-50(83)60-46-38(68)36(66)34(64)30(26-62)78-46/h29-48,61-68H,1-28,51-56H2,(H2,57,59,82)(H2,58,60,83) |
| InChIKey | OCGCBHFXSHRZJS-UHFFFAOYSA-N |
| Literature Reference Author | M.DUBBER,T.K.LINDHORST |
| Literature Reference Citation | ORG.LETTERS,3,4019(2001) |
| Literature Reference DOI | 10.1021/ol016717o |
| Molecular Weight | 1241.518 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU33998 |