| SpectraBase Compound ID | 25d22hAHN16 |
|---|---|
| InChI | InChI=1S/C29H36O17/c1-2-11-12-6-7-40-25(38)14(12)10-41-27(11)46-29-24(22(36)20(34)17(9-31)44-29)45-26(39)13-4-3-5-15(18(13)32)42-28-23(37)21(35)19(33)16(8-30)43-28/h2-5,10-12,16-17,19-24,27-37H,1,6-9H2/t11-,12+,16-,17+,19-,20+,21+,22-,23-,24+,27+,28-,29-/m1/s1 |
| InChIKey | XYZDSXRSOLCDDD-WXBWIYNQSA-N |
| Mol Weight | 656.6 g/mol |
| Molecular Formula | C29H36O17 |
| Exact Mass | 656.19525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BGEYK2eIakQ |
|---|---|
| Name | GENTIOTRIFLOROSIDE |
| Compound Number | 51 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O17 |
| InChI | InChI=1S/C29H36O17/c1-2-11-12-6-7-40-25(38)14(12)10-41-27(11)46-29-24(22(36)20(34)17(9-31)44-29)45-26(39)13-4-3-5-15(18(13)32)42-28-23(37)21(35)19(33)16(8-30)43-28/h2-5,10-12,16-17,19-24,27-37H,1,6-9H2/t11-,12+,16-,17+,19-,20+,21+,22-,23-,24+,27+,28-,29-/m1/s1 |
| InChIKey | XYZDSXRSOLCDDD-WXBWIYNQSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,689(2007) |
| Literature Reference DOI | 10.1248/cpb.55.689 |
| Molecular Weight | 656.595 g/mol |
| Sample ID | 37463 |
| Solvent | CD3OD |