| SpectraBase Compound ID | mLCLv3S1fD |
|---|---|
| InChI | InChI=1S/C31H36O16/c32-6-22-23(34)24(35)27(47-30-28(36)31(37,9-33)10-40-30)29(46-22)45-18-5-21-20(43-12-44-21)4-14(18)26-16-8-38-25(15(16)7-39-26)13-1-2-17-19(3-13)42-11-41-17/h1-5,15-16,22-30,32-37H,6-12H2/t15-,16-,22+,23+,24-,25+,26-,27+,28-,29+,30-,31+/m0/s1 |
| InChIKey | LXPONZBPYFAEOO-GULFDLELSA-N |
| Mol Weight | 664.6 g/mol |
| Molecular Formula | C31H36O16 |
| Exact Mass | 664.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | sitoue3vsX |
|---|---|
| Name | CUSCUTOSIDE-A;2'-HYDROXY-ASARININ-2'-O-BETA-D-APIOFURANOSYL-(1->2)-BETA-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H36O16 |
| InChI | InChI=1S/C31H36O16/c32-6-22-23(34)24(35)27(47-30-28(36)31(37,9-33)10-40-30)29(46-22)45-18-5-21-20(43-12-44-21)4-14(18)26-16-8-38-25(15(16)7-39-26)13-1-2-17-19(3-13)42-11-41-17/h1-5,15-16,22-30,32-37H,6-12H2/t15-,16-,22+,23+,24-,25+,26-,27+,28-,29+,30-,31+/m0/s1 |
| InChIKey | LXPONZBPYFAEOO-GULFDLELSA-N |
| Literature Reference Author | S.YAHARA,H.DOMOTO,C.SUGIMURA,T.NOHARA,Y.NIIHO,Y.NAKAJIMA,H.I TO |
| Literature Reference Citation | PHYTOCHEM.,37,1755(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89605-3 |
| Molecular Weight | 664.617 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS23674 |