| SpectraBase Compound ID | KECQ6mIYybA |
|---|---|
| InChI | InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2 |
| InChIKey | AFHJQYHRLPMKHU-UHFFFAOYSA-N |
| Mol Weight | 418.4 g/mol |
| Molecular Formula | C21H22O9 |
| Exact Mass | 418.126382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6FfSz8voR4E |
|---|---|
| Name | (10S,1'S)-ALOIN-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H22O9 |
| InChI | InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2 |
| InChIKey | AFHJQYHRLPMKHU-UHFFFAOYSA-N |
| Literature Reference Author | H.W.RAUWALD,K.LOHSE |
| Literature Reference Citation | PLANTA.MED.,58,259(1992) |
| Literature Reference DOI | 10.1055/s-2006-961448 |
| Molecular Weight | 418.400 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP325 |