| SpectraBase Compound ID | 6WtPATwcsSE |
|---|---|
| InChI | InChI=1S/C39H52O20/c1-17-27(43)30(46)33(49)37(54-17)58-35-31(47)28(44)18(2)55-38(35)59-36-32(48)29(45)25(16-40)56-39(36)57-34-23(51-4)14-20(15-24(34)52-5)7-6-12-53-26(42)11-9-19-8-10-21(41)22(13-19)50-3/h6-11,13-15,17-18,25,27-33,35-41,43-49H,12,16H2,1-5H3/b7-6+,11-9+/t17-,18-,25+,27-,28-,29+,30+,31+,32-,33+,35+,36+,37-,38-,39-/m0/s1 |
| InChIKey | UIEOJHADDXONBR-LAXNGWJESA-N |
| Mol Weight | 840.8 g/mol |
| Molecular Formula | C39H52O20 |
| Exact Mass | 840.305194 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FM1RNkxkXT3 |
|---|---|
| Name | SOLARGIN-III;SINAPYL-ALCOHOL-9-O-FERULOYL-4-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-GLUOCPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H52O20 |
| InChI | InChI=1S/C39H52O20/c1-17-27(43)30(46)33(49)37(54-17)58-35-31(47)28(44)18(2)55-38(35)59-36-32(48)29(45)25(16-40)56-39(36)57-34-23(51-4)14-20(15-24(34)52-5)7-6-12-53-26(42)11-9-19-8-10-21(41)22(13-19)50-3/h6-11,13-15,17-18,25,27-33,35-41,43-49H,12,16H2,1-5H3/b7-6+,11-9+/t17-,18-,25+,27-,28-,29+,30+,31+,32-,33+,35+,36+,37-,38-,39-/m0/s1 |
| InChIKey | UIEOJHADDXONBR-LAXNGWJESA-N |
| Literature Reference Author | M.S.KAMEL |
| Literature Reference Citation | PHYTOCHEM.,62,1247(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00022-0 |
| Molecular Weight | 840.830 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU29647 |