| SpectraBase Compound ID | Y92HUtw3e6 |
|---|---|
| InChI | InChI=1S/C38H56O14/c1-17-23(20-12-28(41)47-16-20)9-11-38(45)24-7-6-21-13-22(8-10-37(21,4)26(24)14-25(17)38)50-36-34(49-19(3)40)33(46-5)32(18(2)48-36)52-35-31(44)30(43)29(42)27(15-39)51-35/h12,18,21-27,29-36,39,42-45H,1,6-11,13-16H2,2-5H3/t18-,21+,22-,23-,24+,25+,26?,27-,29-,30+,31-,32-,33+,34-,35+,36+,37-,38-/m0/s1 |
| InChIKey | DSZFGQHDQICZQH-CPOJRZRUSA-N |
| Mol Weight | 736.9 g/mol |
| Molecular Formula | C38H56O14 |
| Exact Mass | 736.367006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E7HBMULdag4 |
|---|---|
| Name | THEVETIOSIDE-E;THEVETIOGENIN-3-BETA-D-GLUCOPYRANOSYL-(1->4)-2'-O-ACETYL-ALPHA-L-THEVETOPYRANOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H56O14 |
| InChI | InChI=1S/C38H56O14/c1-17-23(20-12-28(41)47-16-20)9-11-38(45)24-7-6-21-13-22(8-10-37(21,4)26(24)14-25(17)38)50-36-34(49-19(3)40)33(46-5)32(18(2)48-36)52-35-31(44)30(43)29(42)27(15-39)51-35/h12,18,21-27,29-36,39,42-45H,1,6-11,13-16H2,2-5H3/t18-,21+,22-,23-,24+,25+,26?,27-,29-,30+,31-,32-,33+,34-,35+,36+,37-,38-/m0/s1 |
| InChIKey | DSZFGQHDQICZQH-CPOJRZRUSA-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 | 736.854 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5299 |