| SpectraBase Compound ID | JLGwqMATBiY |
|---|---|
| InChI | InChI=1S/C31H32O15/c1-41-18-6-12(2-4-15(18)34)29-22(11-33)43-17-5-3-13(7-19(17)44-29)30-27(39)25(37)23-16(35)8-14(9-20(23)45-30)42-31-28(40)26(38)24(36)21(10-32)46-31/h2-9,21-22,24,26-36,38-40H,10-11H2,1H3/t21-,22+,24-,26+,27-,28-,29+,30+,31-/m1/s1 |
| InChIKey | VUYJLNBNMRXKCA-ADUJGRRXSA-N |
| Mol Weight | 644.6 g/mol |
| Molecular Formula | C31H32O15 |
| Exact Mass | 644.17412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6iqnjGq3NaS |
|---|---|
| Name | SILYBIN-A-7-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H32O15 |
| InChI | InChI=1S/C31H32O15/c1-41-18-6-12(2-4-15(18)34)29-22(11-33)43-17-5-3-13(7-19(17)44-29)30-27(39)25(37)23-16(35)8-14(9-20(23)45-30)42-31-28(40)26(38)24(36)21(10-32)46-31/h2-9,21-22,24,26-36,38-40H,10-11H2,1H3/t21-,22+,24-,26+,27-,28-,29+,30+,31-/m1/s1 |
| InChIKey | VUYJLNBNMRXKCA-ADUJGRRXSA-N |
| Literature Reference Author | V.KREN,A.MINGHETTI,P.SEDMERA,V.HAVLICEK,V.PRIKRYLOVA,N.CRESP I-PERELLINO |
| Literature Reference Citation | PHYTOCHEM.,47,217(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00559-1 |
| Molecular Weight | 644.586 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS25 |