| SpectraBase Compound ID | 3tKBny6m9Nz |
|---|---|
| InChI | InChI=1S/C37H40O22/c1-14(38)50-13-24-27(54-16(3)40)29(55-17(4)41)30(56-18(5)42)35(57-24)59-34-26-25(21(12-51-34)33(45)49-7)28-31(58-28)37(26,47)36(46)52-11-20(32(43)44)19-8-9-22(53-15(2)39)23(10-19)48-6/h8-12,24-31,34-35,47H,13H2,1-7H3,(H,43,44)/b20-11-/t24-,25?,26?,27-,28-,29+,30-,31-,34-,35+,37-/m1/s1 |
| InChIKey | HZRMERDGIQYYDE-QYJPNTEJSA-N |
| Mol Weight | 836.7 g/mol |
| Molecular Formula | C37H40O22 |
| Exact Mass | 836.201123 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8y0I7ewgxEU |
|---|---|
| Name | CITRIFOLINOSIDE-PENTAACETATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H40O22 |
| InChI | InChI=1S/C37H40O22/c1-14(38)50-13-24-27(54-16(3)40)29(55-17(4)41)30(56-18(5)42)35(57-24)59-34-26-25(21(12-51-34)33(45)49-7)28-31(58-28)37(26,47)36(46)52-11-20(32(43)44)19-8-9-22(53-15(2)39)23(10-19)48-6/h8-12,24-31,34-35,47H,13H2,1-7H3,(H,43,44)/b20-11-/t24-,25?,26?,27-,28-,29+,30-,31-,34-,35+,37-/m1/s1 |
| InChIKey | HZRMERDGIQYYDE-QYJPNTEJSA-N |
| Literature Reference Author | S.SANG,K.HE,G.LIU,N.ZHU,X.CHENG,M.WANG,Q.ZHENG,Z.DONG,G.GHAI ,R.T.ROSEN,C.T.HO |
| Literature Reference Citation | ORG.LETTERS,3,1307(2001) |
| Literature Reference DOI | 10.1021/ol0156648 |
| Molecular Weight | 836.711 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU33794 |