| SpectraBase Compound ID | KVgkn1C7Jdh |
|---|---|
| InChI | InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-11(24)6-13(14)31-19(20)8-2-9(22)4-10(23)3-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20+,21-/m0/s1 |
| InChIKey | HBHVCPGEAYWNOG-OOHAXVOVSA-N |
| Mol Weight | 450.4 g/mol |
| Molecular Formula | C21H22O11 |
| Exact Mass | 450.116212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K33Npj4flGo |
|---|---|
| Name | SMITILBIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H22O11 |
| InChI | InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-11(24)6-13(14)31-19(20)8-2-9(22)4-10(23)3-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20+,21-/m0/s1 |
| InChIKey | HBHVCPGEAYWNOG-OOHAXVOVSA-N |
| Literature Reference Author | T.CHEN,J.LI,J.CAO,Q.XU,K.KOMATSU,T.NAMBA |
| Literature Reference Citation | PLANTA.MED.,65,56(1999) |
| Literature Reference DOI | 10.1055/s-1999-13963 |
| Molecular Weight | 450.399 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UIAP1224 |