| SpectraBase Compound ID | 5dSmVjk1swv |
|---|---|
| InChI | InChI=1S/C21H32O13/c1-7-13(24)15(26)17(28)20(31-7)32-10-4-8(5-22)12-9(10)2-3-30-19(12)34-21-18(29)16(27)14(25)11(6-23)33-21/h2-4,7,9-29H,5-6H2,1H3/t7-,9-,10?,11+,12+,13-,14+,15+,16-,17+,18+,19-,20-,21-/m0/s1 |
| InChIKey | GKYZLSXVWCJFOK-LDIWBNODSA-N |
| Mol Weight | 492.5 g/mol |
| Molecular Formula | C21H32O13 |
| Exact Mass | 492.184291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZSciWbPlT1 |
|---|---|
| Name | SINULATOL;6-O-(ALPHA-L-RHANMOPYRANOSYL)-AUCUBIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32O13 |
| InChI | InChI=1S/C21H32O13/c1-7-13(24)15(26)17(28)20(31-7)32-10-4-8(5-22)12-9(10)2-3-30-19(12)34-21-18(29)16(27)14(25)11(6-23)33-21/h2-4,7,9-29H,5-6H2,1H3/t7-,9-,10?,11+,12+,13-,14+,15+,16-,17+,18+,19-,20-,21-/m0/s1 |
| InChIKey | GKYZLSXVWCJFOK-LDIWBNODSA-N |
| Literature Reference Author | A.L.SKALTSOUNIS,E.TSITSA-TZARDIS,C.DEMETZOS,C.HARVALA |
| Literature Reference Citation | J.NAT.PROD.,59,673(1996) |
| Literature Reference DOI | 10.1021/np960181b |
| Molecular Weight | 492.477 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS15387 |