| SpectraBase Compound ID | 9jnPCv7OWVJ |
|---|---|
| InChI | InChI=1S/C34H32F18O16/c1-11(2)6-5-7-12(3)8-9-59-21-20(68-28(58)34(50,51)52)18(66-26(56)32(44,45)46)16(64-24(54)30(38,39)40)14(62-21)10-60-22-19(67-27(57)33(47,48)49)17(65-25(55)31(41,42)43)15(13(4)61-22)63-23(53)29(35,36)37/h6,8,13-22H,5,7,9-10H2,1-4H3/b12-8+/t13-,14+,15-,16-,17+,18+,19+,20+,21-,22?/m0/s1 |
| InChIKey | KRKOLWZUQOBRQW-DGXVATLQSA-N |
| Mol Weight | 1038.6 g/mol |
| Molecular Formula | C34H32F18O16 |
| Exact Mass | 1038.140292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FGDuNXmJG1F |
|---|---|
| Name | 6-o-(.alpha.-L-Rhamnopyranosyl)-.beta.-geranyl-D-glucopyranoside-hexakis(trifluoroacetyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1038.140291868 u |
| Formula | C34H32F18O16 |
| InChI | InChI=1S/C34H32F18O16/c1-11(2)6-5-7-12(3)8-9-59-21-20(68-28(58)34(50,51)52)18(66-26(56)32(44,45)46)16(64-24(54)30(38,39)40)14(62-21)10-60-22-19(67-27(57)33(47,48)49)17(65-25(55)31(41,42)43)15(13(4)61-22)63-23(53)29(35,36)37/h6,8,13-22H,5,7,9-10H2,1-4H3/b12-8+/t13-,14+,15-,16-,17+,18+,19+,20+,21-,22?/m0/s1 |
| InChIKey | KRKOLWZUQOBRQW-DGXVATLQSA-N |
| Molecular Weight | 1038.585 g/mol |
| SMILES | [C@]1([C@]([C@@](OC\C=C\(CCC=C(C)C)C)(O[C@@]([C@@]1(OC(C(F)(F)F)=O)[H])(COC1[C@@]([C@](OC(C(F)(F)F)=O)([C@]([C@@](O1)(C)[H])(OC(C(F)(F)F)=O)[H])[H])(OC(C(F)(F)F)=O)[H])[H])[H])(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H] |