| SpectraBase Compound ID | 8uVvtop2sXB |
|---|---|
| InChI | InChI=1S/C36H41NO14/c1-5-19-21-13-23-20-14-25(45-2)24(39)12-18(20)8-9-37(23)34(44)22(21)16-48-35(19)51-36-33(32(43)31(42)28(15-38)49-36)50-29(40)7-6-17-10-26(46-3)30(41)27(11-17)47-4/h5-7,10-12,14,16,19,21,23,28,31-33,35-36,38-39,41-43H,1,8-9,13,15H2,2-4H3/b7-6+/t19-,21+,23-,28+,31+,32-,33+,35+,36-/m1/s1 |
| InChIKey | XMVSNQFJQQVFKK-FUJXMMCRSA-N |
| Mol Weight | 711.7 g/mol |
| Molecular Formula | C36H41NO14 |
| Exact Mass | 711.252705 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D6LFOZqVhJv |
|---|---|
| Name | 2'-O-TRANS-SINAPOYL-3-O-DEMETHYL-2-O-METHYLALANGISIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H41NO14 |
| InChI | InChI=1S/C36H41NO14/c1-5-19-21-13-23-20-14-25(45-2)24(39)12-18(20)8-9-37(23)34(44)22(21)16-48-35(19)51-36-33(32(43)31(42)28(15-38)49-36)50-29(40)7-6-17-10-26(46-3)30(41)27(11-17)47-4/h5-7,10-12,14,16,19,21,23,28,31-33,35-36,38-39,41-43H,1,8-9,13,15H2,2-4H3/b7-6+/t19-,21+,23-,28+,31+,32-,33+,35+,36-/m1/s1 |
| InChIKey | XMVSNQFJQQVFKK-FUJXMMCRSA-N |
| Literature Reference Author | A.ITOH,T.TANAHASHI,N.NAGAKURA |
| Literature Reference Citation | PHYTOCHEM.,41,651(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00668-0 |
| Molecular Weight | 711.720 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4010 |