| SpectraBase Compound ID | FRYNaM2RgFB |
|---|---|
| InChI | InChI=1S/C48H80O37/c1-2-3-70-10-13(55)11-71-12-20-41-27(62)34(69)48(78-20)84-40-19(9-54)76-46(32(67)25(40)60)82-38-17(7-52)74-44(30(65)23(38)58)80-36-15(5-50)72-42(28(63)21(36)56)79-35-14(4-49)73-43(29(64)22(35)57)81-37-16(6-51)75-45(31(66)24(37)59)83-39-18(8-53)77-47(85-41)33(68)26(39)61/h2,13-69H,1,3-12H2/t13?,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1 |
| InChIKey | BCWHXJSMSSIAJC-HXCQGGRWSA-N |
| Mol Weight | 1249.1 g/mol |
| Molecular Formula | C48H80O37 |
| Exact Mass | 1248.437843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DCmQLU7BXcn |
|---|---|
| Name | 6-(I)-O-(3-ALLYLOXY-2-HYDROXYPROPYL)-CYCLOMALTOHEPTAOSE |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H80O37 |
| InChI | InChI=1S/C48H80O37/c1-2-3-70-10-13(55)11-71-12-20-41-27(62)34(69)48(78-20)84-40-19(9-54)76-46(32(67)25(40)60)82-38-17(7-52)74-44(30(65)23(38)58)80-36-15(5-50)72-42(28(63)21(36)56)79-35-14(4-49)73-43(29(64)22(35)57)81-37-16(6-51)75-45(31(66)24(37)59)83-39-18(8-53)77-47(85-41)33(68)26(39)61/h2,13-69H,1,3-12H2/t13?,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1 |
| InChIKey | BCWHXJSMSSIAJC-HXCQGGRWSA-N |
| Literature Reference Author | G.WENZ,T.HOEFLER |
| Literature Reference Citation | CARBOHYDR.RES.,322,153(1999) |
| Literature Reference DOI | 10.1016/S0008-6215(99)00224-4 |
| Molecular Weight | 1249.141 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ2923 |