| SpectraBase Compound ID | FkdDBdEkyPQ |
|---|---|
| InChI | InChI=1S/C39H44O18/c1-18-32(53-25(44)12-6-19-2-8-21(42)9-3-19)31(49)34(54-26(45)13-7-20-4-10-22(43)11-5-20)38(51-18)55-33-23-14-15-50-36(27(23)39(17-41)35(33)57-39)56-37-30(48)29(47)28(46)24(16-40)52-37/h2-15,18,23-24,27-38,40-43,46-49H,16-17H2,1H3/b12-6+,13-7+/t18-,23-,24+,27-,28+,29-,30+,31+,32-,33+,34+,35+,36+,37-,38-,39-/m1/s1 |
| InChIKey | QUJVLURIRPUWBR-WVRTVRGGSA-N |
| Mol Weight | 800.8 g/mol |
| Molecular Formula | C39H44O18 |
| Exact Mass | 800.252765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJIq0gzSyxk |
|---|---|
| Name | GMELINOSIDE-I |
| Compound Number | 79 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H44O18 |
| InChI | InChI=1S/C39H44O18/c1-18-32(53-25(44)12-6-19-2-8-21(42)9-3-19)31(49)34(54-26(45)13-7-20-4-10-22(43)11-5-20)38(51-18)55-33-23-14-15-50-36(27(23)39(17-41)35(33)57-39)56-37-30(48)29(47)28(46)24(16-40)52-37/h2-15,18,23-24,27-38,40-43,46-49H,16-17H2,1H3/b12-6+,13-7+/t18-,23-,24+,27-,28+,29-,30+,31+,32-,33+,34+,35+,36+,37-,38-,39-/m1/s1 |
| InChIKey | QUJVLURIRPUWBR-WVRTVRGGSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 800.768 g/mol |
| Sample ID | 37876 |
| Solvent | CD3OD |