| SpectraBase Compound ID | 5PBsZKQNdLz |
|---|---|
| InChI | InChI=1S/C48H74O32/c49-10-18-36-25(56)30(61)43(68-18)75-37-19(11-50)69-45(31(62)26(37)57)77-39-21(13-52)71-47(33(64)28(39)59)79-41-23(15-54)73-48(42(35(41)66)74-24(55)8-4-5-9-67-16-17-6-2-1-3-7-17)80-40-22(14-53)72-46(34(65)29(40)60)78-38-20(12-51)70-44(76-36)32(63)27(38)58/h1-3,6-7,18-23,25-54,56-66H,4-5,8-16H2/t18-,19-,20-,21-,22-,23-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1 |
| InChIKey | ZUQGMRLNDRARNP-PQVMWDNUSA-N |
| Mol Weight | 1163.1 g/mol |
| Molecular Formula | C48H74O32 |
| Exact Mass | 1162.41632 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8r41tso1Zfx |
|---|---|
| Name | MONO-2-O-(6-BENZOXYPENTANOYL)-BETA-CYCLODEXTRIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H74O32 |
| InChI | InChI=1S/C48H74O32/c49-10-18-36-25(56)30(61)43(68-18)75-37-19(11-50)69-45(31(62)26(37)57)77-39-21(13-52)71-47(33(64)28(39)59)79-41-23(15-54)73-48(42(35(41)66)74-24(55)8-4-5-9-67-16-17-6-2-1-3-7-17)80-40-22(14-53)72-46(34(65)29(40)60)78-38-20(12-51)70-44(76-36)32(63)27(38)58/h1-3,6-7,18-23,25-54,56-66H,4-5,8-16H2/t18-,19-,20-,21-,22-,23-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1 |
| InChIKey | ZUQGMRLNDRARNP-PQVMWDNUSA-N |
| Literature Reference Author | Y.TAKASHIMA,M.OSAKI,A.HARADA |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,13588(2004) |
| Literature Reference DOI | 10.1021/ja047171e |
| Molecular Weight | 1163.096 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU34708 |