| SpectraBase Compound ID | 84DBAZyd9ZD |
|---|---|
| InChI | InChI=1S/C37H38O19/c1-15-27(44)30(47)31(48)36(52-15)51-14-23-28(45)34(55-25(43)12-24(42)50-13-16-5-3-2-4-6-16)32(49)37(54-23)56-35-29(46)26-21(41)10-18(38)11-22(26)53-33(35)17-7-8-19(39)20(40)9-17/h2-11,15,23,27-28,30-32,34,36-41,44-45,47-49H,12-14H2,1H3/t15-,23+,27-,28+,30+,31+,32+,34-,36+,37-/m0/s1 |
| InChIKey | JFRXWCSLTOIOTH-SSCHNWKCSA-N |
| Mol Weight | 786.7 g/mol |
| Molecular Formula | C37H38O19 |
| Exact Mass | 786.200729 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7rfzVDKTCLt |
|---|---|
| Name | RUTIN-3''-(O-BENZYL)-MALONATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H38O19 |
| InChI | InChI=1S/C37H38O19/c1-15-27(44)30(47)31(48)36(52-15)51-14-23-28(45)34(55-25(43)12-24(42)50-13-16-5-3-2-4-6-16)32(49)37(54-23)56-35-29(46)26-21(41)10-18(38)11-22(26)53-33(35)17-7-8-19(39)20(40)9-17/h2-11,15,23,27-28,30-32,34,36-41,44-45,47-49H,12-14H2,1H3/t15-,23+,27-,28+,30+,31+,32+,34-,36+,37-/m0/s1 |
| InChIKey | JFRXWCSLTOIOTH-SSCHNWKCSA-N |
| Literature Reference Author | S.RIVA,B.DANIELI,M.LUISETTI |
| Literature Reference Citation | J.NAT.PROD.,59,618(1996) |
| Literature Reference DOI | 10.1021/np960239m |
| Molecular Weight | 786.697 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRK885 |