| SpectraBase Compound ID | DSViUEI8jub |
|---|---|
| InChI | InChI=1S/2C42H60O20/c2*1-18(9-11-55-36(52)23-16-58-39(29-21(23)8-10-42(29,4)54)62-41-35(51)33(49)31(47)27(14-44)60-41)6-5-7-19(2)15-56-37(53)24-17-57-38(28-20(3)25(45)12-22(24)28)61-40-34(50)32(48)30(46)26(13-43)59-40/h2*7,9,16-17,21-22,25-35,38-41,43-51,54H,3,5-6,8,10-15H2,1-2,4H3/b2*18-9+,19-7+/t2*21-,22-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,38+,39+,40-,41-,42+/m11/s1 |
| InChIKey | XWMQPFLSYSJIGF-FGJATTQESA-N |
| Mol Weight | 1769.8 g/mol |
| Molecular Formula | C84H120O40 |
| Exact Mass | 1768.735589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GgsOFbGFncq |
|---|---|
| Name | PREMNAODOROSIDE-G;ISOMERIC-MIXTURE |
| Compound Number | 416 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C84H120O40 |
| InChI | InChI=1S/2C42H60O20/c2*1-18(9-11-55-36(52)23-16-58-39(29-21(23)8-10-42(29,4)54)62-41-35(51)33(49)31(47)27(14-44)60-41)6-5-7-19(2)15-56-37(53)24-17-57-38(28-20(3)25(45)12-22(24)28)61-40-34(50)32(48)30(46)26(13-43)59-40/h2*7,9,16-17,21-22,25-35,38-41,43-51,54H,3,5-6,8,10-15H2,1-2,4H3/b2*18-9+,19-7+/t2*21-,22-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,38+,39+,40-,41-,42+/m11/s1 |
| InChIKey | XWMQPFLSYSJIGF-FGJATTQESA-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 | 1769.853 g/mol |
| Sample ID | 38210 |
| Solvent | CD3OD |