| SpectraBase Compound ID | JTphOrKvphP |
|---|---|
| InChI | InChI=1S/C36H54O13/c1-16-21(18-11-26(38)45-15-18)8-10-36(43)22-6-5-19-12-20(7-9-35(19,3)24(22)13-23(16)36)47-34-30(42)32(44-4)31(17(2)46-34)49-33-29(41)28(40)27(39)25(14-37)48-33/h11,17,19-25,27-34,37,39-43H,1,5-10,12-15H2,2-4H3/t17-,19+,20-,21-,22+,23+,24?,25-,27-,28+,29-,30+,31-,32-,33+,34+,35-,36-/m0/s1 |
| InChIKey | SIYQYZAFOVBXKP-XLJVGWBTSA-N |
| Mol Weight | 694.8 g/mol |
| Molecular Formula | C36H54O13 |
| Exact Mass | 694.356442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GbWq7tULudK |
|---|---|
| Name | THEVETIOSIDE-D;THEVETIOGENIN-3-BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-ACOFRIOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O13 |
| InChI | InChI=1S/C36H54O13/c1-16-21(18-11-26(38)45-15-18)8-10-36(43)22-6-5-19-12-20(7-9-35(19,3)24(22)13-23(16)36)47-34-30(42)32(44-4)31(17(2)46-34)49-33-29(41)28(40)27(39)25(14-37)48-33/h11,17,19-25,27-34,37,39-43H,1,5-10,12-15H2,2-4H3/t17-,19+,20-,21-,22+,23+,24?,25-,27-,28+,29-,30+,31-,32-,33+,34+,35-,36-/m0/s1 |
| InChIKey | SIYQYZAFOVBXKP-XLJVGWBTSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,31,251(1992) |
| Literature Reference DOI | 10.1016/0031-9422(91)83047-O |
| Molecular Weight | 694.817 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5298 |