| SpectraBase Compound ID | 9sKRhcmxdR1 |
|---|---|
| InChI | InChI=1S/C44H72O19/c1-18(15-57-40-37(54)34(51)32(49)28(14-45)61-40)5-10-44(56)19(2)30-27(63-44)13-23-21-12-25(46)24-11-20(6-8-42(24,3)22(21)7-9-43(23,30)4)60-41-38(55)35(52)33(50)29(62-41)17-59-39-36(53)31(48)26(47)16-58-39/h18-24,26-41,45,47-56H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35+,36-,37+,38-,39+,40+,41-,42-,43+,44?/m1/s1 |
| InChIKey | IIIYSIWSTCMYQC-MVZIJPBNSA-N |
| Mol Weight | 905.0 g/mol |
| Molecular Formula | C44H72O19 |
| Exact Mass | 904.46678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtOCPWgcxoS |
|---|---|
| Name | IIIYSIWSTCMYQC-MVZIJPBNSA-N |
| Compound Number | 99 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H72O19 |
| InChI | InChI=1S/C44H72O19/c1-18(15-57-40-37(54)34(51)32(49)28(14-45)61-40)5-10-44(56)19(2)30-27(63-44)13-23-21-12-25(46)24-11-20(6-8-42(24,3)22(21)7-9-43(23,30)4)60-41-38(55)35(52)33(50)29(62-41)17-59-39-36(53)31(48)26(47)16-58-39/h18-24,26-41,45,47-56H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35+,36-,37+,38-,39+,40+,41-,42-,43+,44?/m1/s1 |
| InChIKey | IIIYSIWSTCMYQC-MVZIJPBNSA-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 | 905.044 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS22187 |