| SpectraBase Compound ID | 2WQkA3Q7asy |
|---|---|
| InChI | InChI=1S/C22H28O13/c1-7-3-10(23)14-11(24)4-9(5-12(14)32-7)34-22-20(30)18(28)16(26)13(35-22)6-31-21-19(29)17(27)15(25)8(2)33-21/h3-5,8,13,15-22,24-30H,6H2,1-2H3/t8-,13+,15-,16+,17+,18-,19+,20+,21+,22+/m1/s1 |
| InChIKey | LYGONQRLEVFULH-BKJGUTBCSA-N |
| Mol Weight | 500.45 g/mol |
| Molecular Formula | C22H28O13 |
| Exact Mass | 500.152991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5dxfF2LRmvb |
|---|---|
| Name | 5-HYDROXY-2-METHYLCHROMONE-7-O-RUTINOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28O13 |
| InChI | InChI=1S/C22H28O13/c1-7-3-10(23)14-11(24)4-9(5-12(14)32-7)34-22-20(30)18(28)16(26)13(35-22)6-31-21-19(29)17(27)15(25)8(2)33-21/h3-5,8,13,15-22,24-30H,6H2,1-2H3/t8-,13+,15-,16+,17+,18-,19+,20+,21+,22+/m1/s1 |
| InChIKey | LYGONQRLEVFULH-BKJGUTBCSA-N |
| Literature Reference Author | P.KLAUSMEYER,Q.ZHOU,D.A.SCUDIERO,B.URANCHIMEG,G.MELILLO,J.H. CARDELLINA,R.H.SHOWM |
| Literature Reference Citation | J.NAT.PROD.,72,805(2009) |
| Literature Reference DOI | 10.1021/np8006342 |
| Molecular Weight | 500.457 g/mol |
| Sample ID | 32511 |
| Solvent | DMSO-D6 |