![6-O-(.alpha.-L-arabinofuranosyl)-.beta.-[(S)-linalyl]-D-glucopyranoside-hexakis(trifluoroacetyl)](/api/spectrum/GHnunOGhZbo/structure.png?h=300&w=458 "6-O-(.alpha.-L-arabinofuranosyl)-.beta.-[(S)-linalyl]-D-glucopyranoside-hexakis(trifluoroacetyl)")
| SpectraBase Compound ID | LmMQH9byBet |
|---|---|
| InChI | InChI=1S/C33H30F18O16/c1-5-27(4,8-6-7-11(2)3)67-20-18(66-26(57)33(49,50)51)16(64-24(55)31(43,44)45)14(62-22(53)29(37,38)39)12(61-20)9-58-19-17(65-25(56)32(46,47)48)15(63-23(54)30(40,41)42)13(60-19)10-59-21(52)28(34,35)36/h5,7,12-20H,1,6,8-10H2,2-4H3/t12-,13-,14-,15-,16+,17+,18-,19+,20-,27-/m1/s1 |
| InChIKey | RAYBKPHNSJRZJU-PALLFUPSSA-N |
| Mol Weight | 1024.6 g/mol |
| Molecular Formula | C33H30F18O16 |
| Exact Mass | 1024.124642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GHnunOGhZbo |
|---|---|
| Name | 6-o-(.alpha.-L-Arabinofuranosyl)-.beta.-[(S)-linalyl]-D-glucopyranoside-hexakis(trifluoroacetyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1024.124641804 u |
| Formula | C33H30F18O16 |
| InChI | InChI=1S/C33H30F18O16/c1-5-27(4,8-6-7-11(2)3)67-20-18(66-26(57)33(49,50)51)16(64-24(55)31(43,44)45)14(62-22(53)29(37,38)39)12(61-20)9-58-19-17(65-25(56)32(46,47)48)15(63-23(54)30(40,41)42)13(60-19)10-59-21(52)28(34,35)36/h5,7,12-20H,1,6,8-10H2,2-4H3/t12-,13-,14-,15-,16+,17+,18-,19+,20-,27-/m1/s1 |
| InChIKey | RAYBKPHNSJRZJU-PALLFUPSSA-N |
| Molecular Weight | 1024.558 g/mol |
| SMILES | [C@@]1([C@]([C@](OC(C(F)(F)F)=O)([C@](O[C@@]1(O[C@](C=C)(CCC=C(C)C)C)[H])(CO[C@@]1([C@]([C@](OC(C(F)(F)F)=O)([C@](O1)(COC(C(F)(F)F)=O)[H])[H])(OC(C(F)(F)F)=O)[H])[H])[H])[H])(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H] |