| SpectraBase Compound ID | 9R7MNiC0ars |
|---|---|
| InChI | InChI=1S/C49H84O35/c1-64-36-22(57)29-15(8-50)71-43(36)78-30-16(9-51)72-45(37(65-2)23(30)58)80-32-18(11-53)74-47(39(67-4)25(32)60)82-34-20(13-55)76-49(41(69-6)27(34)62)84-35-21(14-56)77-48(42(70-7)28(35)63)83-33-19(12-54)75-46(40(68-5)26(33)61)81-31-17(10-52)73-44(79-29)38(66-3)24(31)59/h15-63H,8-14H2,1-7H3/t15-,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-/m0/s1 |
| InChIKey | BKXGPGAENCKLBU-OXXXYEIGSA-N |
| Mol Weight | 1233.2 g/mol |
| Molecular Formula | C49H84O35 |
| Exact Mass | 1232.479314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8EUj6TmNnBX |
|---|---|
| Name | HEPTAKIS-(2-O-METHYL)-CYCLOMALTOHEPTAOSE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H84O35 |
| InChI | InChI=1S/C49H84O35/c1-64-36-22(57)29-15(8-50)71-43(36)78-30-16(9-51)72-45(37(65-2)23(30)58)80-32-18(11-53)74-47(39(67-4)25(32)60)82-34-20(13-55)76-49(41(69-6)27(34)62)84-35-21(14-56)77-48(42(70-7)28(35)63)83-33-19(12-54)75-46(40(68-5)26(33)61)81-31-17(10-52)73-44(79-29)38(66-3)24(31)59/h15-63H,8-14H2,1-7H3/t15-,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-/m0/s1 |
| InChIKey | BKXGPGAENCKLBU-OXXXYEIGSA-N |
| Literature Reference Author | J.GU,T.CHEN,P.ZHANG,C.C.LING |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,5793(2014) |
| Literature Reference DOI | 10.1002/ejoc.201402802 |
| Molecular Weight | 1233.185 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU85355 |