| SpectraBase Compound ID | AKgo1LwbLic |
|---|---|
| InChI | InChI=1S/C45H76O35/c1-64-8-15-36-23(55)30(62)44(72-15)76-34-13(6-48)70-42(28(60)21(34)53)80-38-17(10-66-3)73-45(31(63)24(38)56)77-35-14(7-49)69-41(27(59)20(35)52)79-37-16(9-65-2)71-43(29(61)22(37)54)75-33-12(5-47)67-39(25(57)18(33)50)74-32-11(4-46)68-40(78-36)26(58)19(32)51/h11-63H,4-10H2,1-3H3/t11?,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?,37?,38?,39+,40?,41?,42?,43?,44?,45?/m1/s1 |
| InChIKey | QIXQCNLRVORNPU-QDBKEMMISA-N |
| Mol Weight | 1177.1 g/mol |
| Molecular Formula | C45H76O35 |
| Exact Mass | 1176.416714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9OoNYsgSYjp |
|---|---|
| Name | 6a,6c,6E-Tri-O-methyl-cycloheptaamylose |
| Comments | BRUKER AC-300 SPECTROMETER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C45H76O35 |
| InChI | InChI=1S/C45H76O35/c1-64-8-15-36-23(55)30(62)44(72-15)76-34-13(6-48)70-42(28(60)21(34)53)80-38-17(10-66-3)73-45(31(63)24(38)56)77-35-14(7-49)69-41(27(59)20(35)52)79-37-16(9-65-2)71-43(29(61)22(37)54)75-33-12(5-47)67-39(25(57)18(33)50)74-32-11(4-46)68-40(78-36)26(58)19(32)51/h11-63H,4-10H2,1-3H3/t11?,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?,37?,38?,39+,40?,41?,42?,43?,44?,45?/m1/s1 |
| InChIKey | QIXQCNLRVORNPU-QDBKEMMISA-N |
| Instrument Name | see comment |
| Literature Reference | S. Cottaz, C. Apparu, H. Driguez, J. Chem. Soc. Perkin I 2235 (1991). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CD3OD |