| SpectraBase Compound ID | InMLpHochl6 |
|---|---|
| InChI | InChI=1S/C42H66N6O30/c49-13-7-1-43-37(67)31-26(62)20(56)14(50)8(74-31)2-45-39(69)33-28(64)22(58)16(52)10(76-33)4-47-41(71)35-30(66)24(60)18(54)12(78-35)6-48-42(72)36-29(65)23(59)17(53)11(77-36)5-46-40(70)34-27(63)21(57)15(51)9(75-34)3-44-38(68)32(73-7)25(61)19(13)55/h7-36,49-66H,1-6H2,(H,43,67)(H,44,68)(H,45,69)(H,46,70)(H,47,71)(H,48,72)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1 |
| InChIKey | WMDYEUTVDCUROV-GPEQKBECSA-N |
| Mol Weight | 1135.0 g/mol |
| Molecular Formula | C42H66N6O30 |
| Exact Mass | 1134.382335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2iFaqTQS5mw |
|---|---|
| Name | CYCLO-(GLUCOSYLURONIC-ACID-METHYLAMINE)6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66N6O30 |
| InChI | InChI=1S/C42H66N6O30/c49-13-7-1-43-37(67)31-26(62)20(56)14(50)8(74-31)2-45-39(69)33-28(64)22(58)16(52)10(76-33)4-47-41(71)35-30(66)24(60)18(54)12(78-35)6-48-42(72)36-29(65)23(59)17(53)11(77-36)5-46-40(70)34-27(63)21(57)15(51)9(75-34)3-44-38(68)32(73-7)25(61)19(13)55/h7-36,49-66H,1-6H2,(H,43,67)(H,44,68)(H,45,69)(H,46,70)(H,47,71)(H,48,72)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1 |
| InChIKey | WMDYEUTVDCUROV-GPEQKBECSA-N |
| Literature Reference Author | E.LOCARDI,M.STOECKLE,S.GRUNER,H.KESSLER |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,8189(2001) |
| Literature Reference DOI | 10.1021/ja010181k |
| Molecular Weight | 1135.008 g/mol |
| Solvent | H2O:D2O |
| Source File Reference | UWLU33277 |