| SpectraBase Compound ID | A2kyOVQgKnK |
|---|---|
| InChI | InChI=1S/C22H32O13/c1-2-31-20(30)19(10-6-4-3-5-7-10)35-22-18(29)16(27)14(25)12(34-22)9-32-21-17(28)15(26)13(24)11(8-23)33-21/h3-7,11-19,21-29H,2,8-9H2,1H3/t11-,12+,13-,14+,15+,16-,17-,18+,19-,21-,22-/m1/s1 |
| InChIKey | FHEGHWWLQLFYEI-ZOZGRHPDSA-N |
| Mol Weight | 504.5 g/mol |
| Molecular Formula | C22H32O13 |
| Exact Mass | 504.184291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BtIxQfAIyVV |
|---|---|
| Name | ETHYL_AMYGDALINATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H32O13 |
| InChI | InChI=1S/C22H32O13/c1-2-31-20(30)19(10-6-4-3-5-7-10)35-22-18(29)16(27)14(25)12(34-22)9-32-21-17(28)15(26)13(24)11(8-23)33-21/h3-7,11-19,21-29H,2,8-9H2,1H3/t11-,12+,13-,14+,15+,16-,17-,18+,19-,21-,22-/m1/s1 |
| InChIKey | FHEGHWWLQLFYEI-ZOZGRHPDSA-N |
| Literature Reference Author | X.Y.CHEN,H.Q.WANG,T.ZHANG,C.LIU,J.KANG,R.Y.CHEN,D.Q.YU |
| Literature Reference Citation | J.NAT.PROD.,76,1528(2013) |
| Literature Reference DOI | 10.1021/np4000922 |
| Molecular Weight | 504.488 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ43088 |