| SpectraBase Compound ID | EEVpWPnWDRh |
|---|---|
| InChI | InChI=1S/C54H88O22/c1-22(2)23(3)16-32-52(9,66)44-25-10-11-30-50(7)14-13-31(49(5,6)29(50)12-15-51(30,8)53(25)20-54(44,76-32)69-21-53)73-48-43(75-46-40(64)37(61)33(57)24(4)70-46)42(36(60)27(17-55)71-48)74-47-41(65)38(62)35(59)28(72-47)19-68-45-39(63)34(58)26(56)18-67-45/h23-48,55-66H,1,10-21H2,2-9H3/t23?,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+,50+,51-,52+,53?,54?/m1/s1 |
| InChIKey | WGHREXMBXYKZTL-XKLIEWJNSA-N |
| Mol Weight | 1089.3 g/mol |
| Molecular Formula | C54H88O22 |
| Exact Mass | 1088.576724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7moSp5RP1xw |
|---|---|
| Name | ZIZYPHOISID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O22 |
| InChI | InChI=1S/C54H88O22/c1-22(2)23(3)16-32-52(9,66)44-25-10-11-30-50(7)14-13-31(49(5,6)29(50)12-15-51(30,8)53(25)20-54(44,76-32)69-21-53)73-48-43(75-46-40(64)37(61)33(57)24(4)70-46)42(36(60)27(17-55)71-48)74-47-41(65)38(62)35(59)28(72-47)19-68-45-39(63)34(58)26(56)18-67-45/h23-48,55-66H,1,10-21H2,2-9H3/t23?,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+,50+,51-,52+,53?,54?/m1/s1 |
| InChIKey | WGHREXMBXYKZTL-XKLIEWJNSA-N |
| Literature Reference Author | P.PERERA,R.ANDERSSON,L.BOHLIN,C.ANDERSSON,D.LI,N.L.OWEN,R.DU NKEL,C.L.MAYNE,R.J.P |
| Literature Reference Citation | MAGN.RES.CHEM.,31,472(1993) |
| Literature Reference DOI | 10.1002/mrc.1260310511 |
| Molecular Weight | 1089.280 g/mol |
| Solvent | PYRIDINE-D5(50G/L) |
| Source File Reference | UWMR530 |