| SpectraBase Compound ID | 8JwvCQSDuwR |
|---|---|
| InChI | InChI=1S/C40H68O18/c1-16(15-54-35-31(49)27(45)25(43)22(13-41)55-35)6-11-40(53-5)17(2)24-21(57-40)12-20-18-7-10-39(58-36-32(50)28(46)26(44)23(14-42)56-36)34(52)30(48)29(47)33(51)38(39,4)19(18)8-9-37(20,24)3/h16-36,41-52H,6-15H2,1-5H3/t16?,17-,18+,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29+,30-,31-,32-,33+,34-,35-,36+,37-,38-,39-,40?/m0/s1 |
| InChIKey | CMRDVVBDXQNCLM-FPPKAADYSA-N |
| Mol Weight | 837.0 g/mol |
| Molecular Formula | C40H68O18 |
| Exact Mass | 836.440565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CBWPZ7gkfQ1 |
|---|---|
| Name | CMRDVVBDXQNCLM-FPPKAADYSA-N |
| Compound Number | 107 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H68O18 |
| InChI | InChI=1S/C40H68O18/c1-16(15-54-35-31(49)27(45)25(43)22(13-41)55-35)6-11-40(53-5)17(2)24-21(57-40)12-20-18-7-10-39(58-36-32(50)28(46)26(44)23(14-42)56-36)34(52)30(48)29(47)33(51)38(39,4)19(18)8-9-37(20,24)3/h16-36,41-52H,6-15H2,1-5H3/t16?,17-,18+,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29+,30-,31-,32-,33+,34-,35-,36+,37-,38-,39-,40?/m0/s1 |
| InChIKey | CMRDVVBDXQNCLM-FPPKAADYSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
| Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
| Literature Reference DOI | 10.1002/mrc.1260331202 |
| Molecular Weight | 836.969 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS22195 |