![6-O-(.alpha.-L-rhamnopyranosyl)-.beta.-[(R,S)-.alpha.-terpinyl]-D-glucopyranoside-hexakis(trifluoroacetyl)](/api/spectrum/7bWN8WH0Pmy/structure.png?h=300&w=458 "6-O-(.alpha.-L-rhamnopyranosyl)-.beta.-[(R,S)-.alpha.-terpinyl]-D-glucopyranoside-hexakis(trifluoroacetyl)")
| SpectraBase Compound ID | Fyr8NdUup3W |
|---|---|
| InChI | InChI=1S/C34H32F18O16/c1-10-5-7-12(8-6-10)28(3,4)68-21-19(67-27(58)34(50,51)52)17(65-25(56)32(44,45)46)15(63-23(54)30(38,39)40)13(61-21)9-59-20-18(66-26(57)33(47,48)49)16(64-24(55)31(41,42)43)14(11(2)60-20)62-22(53)29(35,36)37/h5,11-21H,6-9H2,1-4H3/t11-,12?,13+,14-,15-,16+,17+,18+,19+,20?,21+/m0/s1 |
| InChIKey | PHHGLMDXBUCCCT-KCVXJXNESA-N |
| Mol Weight | 1038.6 g/mol |
| Molecular Formula | C34H32F18O16 |
| Exact Mass | 1038.140292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7bWN8WH0Pmy |
|---|---|
| Name | 6-o-(.alpha.-L-Rhamnopyranosyl)-.beta.-[(R,S)-.alpha.-terpinyl]-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/c1-10-5-7-12(8-6-10)28(3,4)68-21-19(67-27(58)34(50,51)52)17(65-25(56)32(44,45)46)15(63-23(54)30(38,39)40)13(61-21)9-59-20-18(66-26(57)33(47,48)49)16(64-24(55)31(41,42)43)14(11(2)60-20)62-22(53)29(35,36)37/h5,11-21H,6-9H2,1-4H3/t11-,12?,13+,14-,15-,16+,17+,18+,19+,20?,21+/m0/s1 |
| InChIKey | PHHGLMDXBUCCCT-KCVXJXNESA-N |
| Molecular Weight | 1038.585 g/mol |
| SMILES | [C@@]1([C@@]([C@@](OC(C(F)(F)F)=O)([C@](O[C@@]1(OC(C1CC=C(CC1)C)(C)C)[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] |