| SpectraBase Compound ID | I2SiNrj0E8B |
|---|---|
| InChI | InChI=1S/C44H62O22/c1-7-23-25(27(39(55)57-5)19-61-41(23)65-43-36(52)34(50)32(48)29(17-45)63-43)12-14-59-31(47)16-21(3)10-9-11-22(4)38(54)60-15-13-26-24(8-2)42(62-20-28(26)40(56)58-6)66-44-37(53)35(51)33(49)30(18-46)64-44/h7-8,11,16,19-20,23-26,29-30,32-37,41-46,48-53H,1-2,9-10,12-15,17-18H2,3-6H3/b21-16+,22-11+/t23?,24?,25?,26?,29-,30-,32-,33-,34+,35+,36-,37-,41?,42?,43+,44-/m1/s1 |
| InChIKey | QUQITXGXWOOEOE-REYLTELCSA-N |
| Mol Weight | 943.0 g/mol |
| Molecular Formula | C44H62O22 |
| Exact Mass | 942.373274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HWVxFjEiOD |
|---|---|
| Name | QUQITXGXWOOEOE-REYLTELCSA-N |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H62O22 |
| InChI | InChI=1S/C44H62O22/c1-7-23-25(27(39(55)57-5)19-61-41(23)65-43-36(52)34(50)32(48)29(17-45)63-43)12-14-59-31(47)16-21(3)10-9-11-22(4)38(54)60-15-13-26-24(8-2)42(62-20-28(26)40(56)58-6)66-44-37(53)35(51)33(49)30(18-46)64-44/h7-8,11,16,19-20,23-26,29-30,32-37,41-46,48-53H,1-2,9-10,12-15,17-18H2,3-6H3/b21-16+,22-11+/t23?,24?,25?,26?,29-,30-,32-,33-,34+,35+,36-,37-,41?,42?,43+,44-/m1/s1 |
| InChIKey | QUQITXGXWOOEOE-REYLTELCSA-N |
| Literature Reference Author | W.G.MA,N.FUZZATTI,J.L.WOLFENDER,K.HOSTETTMANN,C.R.YANG |
| Literature Reference Citation | HELV.CHIM.ACTA,77,1660(1994) |
| Literature Reference DOI | 10.1002/hlca.19940770621 |
| Molecular Weight | 942.963 g/mol |
| Solvent | MEOD |
| Source File Reference | UWVP4196 |