| SpectraBase Compound ID | 7bzr9kZE57B |
|---|---|
| InChI | InChI=1S/C48H80O37/c1-2-3-70-11-13(56)12-71-41-33(69)40-20(10-55)78-48(41)85-39-19(9-54)77-46(32(68)26(39)62)83-37-17(7-52)75-44(30(66)24(37)60)81-35-15(5-50)73-42(28(64)22(35)58)79-34-14(4-49)72-43(27(63)21(34)57)80-36-16(6-51)74-45(29(65)23(36)59)82-38-18(8-53)76-47(84-40)31(67)25(38)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+/m0/s1 |
| InChIKey | WSJREWDOWLQKHH-DJKVUJRFSA-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 | 2YeDJ4qyILY |
|---|---|
| Name | 2-(I)-O-(3-ALLYLOXY-2-HYDROXYPROPYL)-CYCLOMALTOHEPTAOSE;ISOMER_2 |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H80O37 |
| InChI | InChI=1S/C48H80O37/c1-2-3-70-11-13(56)12-71-41-33(69)40-20(10-55)78-48(41)85-39-19(9-54)77-46(32(68)26(39)62)83-37-17(7-52)75-44(30(66)24(37)60)81-35-15(5-50)73-42(28(64)22(35)58)79-34-14(4-49)72-43(27(63)21(34)57)80-36-16(6-51)74-45(29(65)23(36)59)82-38-18(8-53)76-47(84-40)31(67)25(38)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+/m0/s1 |
| InChIKey | WSJREWDOWLQKHH-DJKVUJRFSA-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 | UWMZ2922 |