| SpectraBase Compound ID | G9g721TeTWn |
|---|---|
| InChI | InChI=1S/C49H56O26/c1-22-42(69-29(8)56)44(70-30(9)57)47(72-32(11)59)49(63-22)75-45-43(74-41(60)17-13-33-12-15-35(64-24(3)51)37(18-33)66-26(5)53)40(21-61-23(2)50)73-48(46(45)71-31(10)58)62-20-39(68-28(7)55)34-14-16-36(65-25(4)52)38(19-34)67-27(6)54/h12-19,22,39-40,42-49H,20-21H2,1-11H3/b17-13+/t22-,39?,40-,42-,43-,44+,45+,46-,47+,48-,49-/m0/s1 |
| InChIKey | RZWNFIVTEZKTHP-POVSYFLXSA-N |
| Mol Weight | 1061.0 g/mol |
| Molecular Formula | C49H56O26 |
| Exact Mass | 1060.305982 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Le7bRNAtQgB |
|---|---|
| Name | BETA-HYDROXY-ACTEOSIDE-PERACETYALTED |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H56O26 |
| InChI | InChI=1S/C49H56O26/c1-22-42(69-29(8)56)44(70-30(9)57)47(72-32(11)59)49(63-22)75-45-43(74-41(60)17-13-33-12-15-35(64-24(3)51)37(18-33)66-26(5)53)40(21-61-23(2)50)73-48(46(45)71-31(10)58)62-20-39(68-28(7)55)34-14-16-36(65-25(4)52)38(19-34)67-27(6)54/h12-19,22,39-40,42-49H,20-21H2,1-11H3/b17-13+/t22-,39?,40-,42-,43-,44+,45+,46-,47+,48-,49-/m0/s1 |
| InChIKey | RZWNFIVTEZKTHP-POVSYFLXSA-N |
| Literature Reference Author | H.RAVN,S.NISHIBE,M.SASAHARA,L.XUEBO |
| Literature Reference Citation | PHYTOCHEM.,29,3627(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85289-R |
| Molecular Weight | 1060.968 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26923 |