| SpectraBase Compound ID | JjYY8MAxdW3 |
|---|---|
| InChI | InChI=1S/C38H50O26.Na/c39-14(40)7-52-32-31-25-13(6-51-31)58-38(32)64-24-12-5-50-30(24)19(45)36(57-12)62-22-10-3-48-28(22)17(43)34(55-10)60-20-8-1-46-26(20)15(41)33(53-8)59-21-9-2-47-27(21)16(42)35(54-9)61-23-11-4-49-29(23)18(44)37(56-11)63-25;/h8-13,15-38,41-45H,1-7H2,(H,39,40);/q;+1/p-1/t8-,9+,10+,11-,12-,13+,15-,16+,17+,18-,19-,20-,21+,22+,23-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33-,34+,35+,36-,37-,38+;/m0./s1 |
| InChIKey | OSULLSCVVAENFL-LOHKUFLBSA-M |
| Mol Weight | 944.8 g/mol |
| Molecular Formula | C38H49NaO26 |
| Exact Mass | 944.240976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7gSxWxY1bOM |
|---|---|
| Name | MONO-2-O-CARBOXYMETHYL-HEXAKIS-(3,6-ANHYDRO)-CYCLOMALTOHEXAOSE-SODIUM-SALT |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H49NaO26 |
| InChI | InChI=1S/C38H50O26.Na/c39-14(40)7-52-32-31-25-13(6-51-31)58-38(32)64-24-12-5-50-30(24)19(45)36(57-12)62-22-10-3-48-28(22)17(43)34(55-10)60-20-8-1-46-26(20)15(41)33(53-8)59-21-9-2-47-27(21)16(42)35(54-9)61-23-11-4-49-29(23)18(44)37(56-11)63-25;/h8-13,15-38,41-45H,1-7H2,(H,39,40);/q;+1/p-1/t8-,9+,10+,11-,12-,13+,15-,16+,17+,18-,19-,20-,21+,22+,23-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33-,34+,35+,36-,37-,38+;/m0./s1 |
| InChIKey | OSULLSCVVAENFL-LOHKUFLBSA-M |
| Literature Reference Author | L.RAMBAUD,J.P.DALBIEZ,B.AMEKRAZ,C.MOULIN,B.PERLY,C.BAUDIN |
| Literature Reference Citation | EUR.J.ORG.CHEM.,1245(2006) |
| Literature Reference DOI | 10.1002/ejoc.200500716 |
| Molecular Weight | 944.781 g/mol |
| Sample ID | 32080 |
| Solvent | D2O |