| SpectraBase Compound ID | BrQ69VlNOir |
|---|---|
| InChI | InChI=1S/C31H36O16/c32-16-8-40-30(26(36)23(16)33)41-9-22-24(34)25(35)27(37)31(47-22)46-18-5-21-20(44-11-45-21)4-13(18)29-15-7-38-28(14(15)6-39-29)12-1-2-17-19(3-12)43-10-42-17/h1-5,14-16,22-37H,6-11H2/t14-,15-,16+,22+,23-,24+,25-,26+,27+,28+,29-,30-,31+/m0/s1 |
| InChIKey | KRCLFCBIYUXSNO-ZERZVZQNSA-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 | Bopj9Or4pqg |
|---|---|
| Name | CUSCUTOSIDE-B;2'-HYDROXY-ASARININ-2'-O-BETA-D-XYLOPYRANOSYL-(1->6)-BETA-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H36O16 |
| InChI | InChI=1S/C31H36O16/c32-16-8-40-30(26(36)23(16)33)41-9-22-24(34)25(35)27(37)31(47-22)46-18-5-21-20(44-11-45-21)4-13(18)29-15-7-38-28(14(15)6-39-29)12-1-2-17-19(3-12)43-10-42-17/h1-5,14-16,22-37H,6-11H2/t14-,15-,16+,22+,23-,24+,25-,26+,27+,28+,29-,30-,31+/m0/s1 |
| InChIKey | KRCLFCBIYUXSNO-ZERZVZQNSA-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 | CD3OD:D2O |
| Source File Reference | UWMS23676 |