| SpectraBase Compound ID | 3BUSubnPRPB |
|---|---|
| InChI | InChI=1S/C41H52O25/c1-5-18-19-9-10-55-36(53)21(19)12-57-38(18)66-41-35(60-17(4)45)34(59-16(3)44)33(25(64-41)14-56-15(2)43)65-37(54)20-7-6-8-22(26(20)46)61-40-32(52)30(50)28(48)24(63-40)13-58-39-31(51)29(49)27(47)23(11-42)62-39/h5-8,12,18-19,23-25,27-35,38-42,46-52H,1,9-11,13-14H2,2-4H3/t18-,19+,23-,24-,25+,27-,28-,29+,30+,31-,32-,33+,34-,35+,38+,39-,40-,41-/m1/s1 |
| InChIKey | KSEGFPBHGPMGNK-CYXISSNLSA-N |
| Mol Weight | 944.8 g/mol |
| Molecular Formula | C41H52O25 |
| Exact Mass | 944.279767 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 | LHdmnE5hBA8 |
|---|---|
| Name | 6''''-O-GLUCOPYRANOSYL-TRIFLOROSIDE |
| Compound Number | 67 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H52O25 |
| InChI | InChI=1S/C41H52O25/c1-5-18-19-9-10-55-36(53)21(19)12-57-38(18)66-41-35(60-17(4)45)34(59-16(3)44)33(25(64-41)14-56-15(2)43)65-37(54)20-7-6-8-22(26(20)46)61-40-32(52)30(50)28(48)24(63-40)13-58-39-31(51)29(49)27(47)23(11-42)62-39/h5-8,12,18-19,23-25,27-35,38-42,46-52H,1,9-11,13-14H2,2-4H3/t18-,19+,23-,24-,25+,27-,28-,29+,30+,31-,32-,33+,34-,35+,38+,39-,40-,41-/m1/s1 |
| InChIKey | KSEGFPBHGPMGNK-CYXISSNLSA-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 | 944.849 g/mol |
| Sample ID | 37479 |
| Solvent | CD3OD |