| SpectraBase Compound ID | HNi49Tu1eZA |
|---|---|
| InChI | InChI=1S/C36H40O19/c1-45-20-6-16-17(7-21(20)46-2)28(18-8-47-31(42)25(18)24(16)15-3-4-19-22(5-15)52-14-51-19)54-34-30(36(44,11-38)13-50-34)55-32-27(40)26(39)23(9-48-32)53-33-29(41)35(43,10-37)12-49-33/h3-7,23,26-27,29-30,32-34,37-41,43-44H,8-14H2,1-2H3/t23-,26+,27-,29+,30+,32+,33+,34+,35-,36-/m0/s1 |
| InChIKey | FSCCKDWQFMYRMK-VZZMJAOJSA-N |
| Mol Weight | 776.7 g/mol |
| Molecular Formula | C36H40O19 |
| Exact Mass | 776.216379 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42P26FQ5tCB |
|---|---|
| Name | PATAVINE;4-O-BETA-D-APIOFURANOSYL-(1->4)-O-BETA-D-XYLOPYRANOSYL-(1->2)-O-BETA-D-APIOFURANOSYL-DIPHYLLIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H40O19 |
| InChI | InChI=1S/C36H40O19/c1-45-20-6-16-17(7-21(20)46-2)28(18-8-47-31(42)25(18)24(16)15-3-4-19-22(5-15)52-14-51-19)54-34-30(36(44,11-38)13-50-34)55-32-27(40)26(39)23(9-48-32)53-33-29(41)35(43,10-37)12-49-33/h3-7,23,26-27,29-30,32-34,37-41,43-44H,8-14H2,1-2H3/t23-,26+,27-,29+,30+,32+,33+,34+,35-,36-/m0/s1 |
| InChIKey | FSCCKDWQFMYRMK-VZZMJAOJSA-N |
| Literature Reference Author | G.INNOCENTI,L.PURICELLI,S.PIACENTE,R.CANIATO,R.FILIPPINI,E.M .CAPPELLETTI |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,844(2002) |
| Literature Reference DOI | 10.1248/cpb.50.844 |
| Molecular Weight | 776.702 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN8242 |