| SpectraBase Compound ID | 24C3m9hChAQ |
|---|---|
| InChI | InChI=1S/C52H88O40/c1-73-9-17-41-25(61)33(69)49(81-17)85-37-13(5-53)78-46(30(66)22(37)58)90-42-18(10-74-2)83-51(35(71)27(42)63)87-39-15(7-55)80-48(32(68)24(39)60)92-44-20(12-76-4)84-52(36(72)28(44)64)88-40-16(8-56)79-47(31(67)23(40)59)91-43-19(11-75-3)82-50(34(70)26(43)62)86-38-14(6-54)77-45(89-41)29(65)21(38)57/h13-72H,5-12H2,1-4H3/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?,49+,50?,51-,52?/m0/s1 |
| InChIKey | UWEXHYPVIYOXRQ-GPYDHRFUSA-N |
| Mol Weight | 1353.2 g/mol |
| Molecular Formula | C52H88O40 |
| Exact Mass | 1352.485188 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92c7fWmgFIG |
|---|---|
| Name | 6a,6c,6E,6G-Tetra-O-methyl-cyclooctaamylose |
| Comments | BRUKER AC-300 SPECTROMETER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C52H88O40 |
| InChI | InChI=1S/C52H88O40/c1-73-9-17-41-25(61)33(69)49(81-17)85-37-13(5-53)78-46(30(66)22(37)58)90-42-18(10-74-2)83-51(35(71)27(42)63)87-39-15(7-55)80-48(32(68)24(39)60)92-44-20(12-76-4)84-52(36(72)28(44)64)88-40-16(8-56)79-47(31(67)23(40)59)91-43-19(11-75-3)82-50(34(70)26(43)62)86-38-14(6-54)77-45(89-41)29(65)21(38)57/h13-72H,5-12H2,1-4H3/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?,49+,50?,51-,52?/m0/s1 |
| InChIKey | UWEXHYPVIYOXRQ-GPYDHRFUSA-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 |