| SpectraBase Compound ID | EMH700SpO4Z |
|---|---|
| InChI | InChI=1S/C21H26O8/c1-10(2)19(24)29-18-17(27-13(5)22)16-12(4)20(25)28-14(16)9-11(3)7-8-15(23)21(18,6)26/h7-8,11,14,16-18,26H,1,4,9H2,2-3,5-6H3/b8-7-/t11-,14+,16-,17-,18+,21-/m0/s1 |
| InChIKey | VPQNLDWXNPGQQT-NABHEWRGSA-N |
| Mol Weight | 406.43 g/mol |
| Molecular Formula | C21H26O8 |
| Exact Mass | 406.162768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AIEtOte4BM1 |
|---|---|
| Name | CALEIN-D |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H26O8 |
| InChI | InChI=1S/C21H26O8/c1-10(2)19(24)29-18-17(27-13(5)22)16-12(4)20(25)28-14(16)9-11(3)7-8-15(23)21(18,6)26/h7-8,11,14,16-18,26H,1,4,9H2,2-3,5-6H3/b8-7-/t11-,14+,16-,17-,18+,21-/m0/s1 |
| InChIKey | VPQNLDWXNPGQQT-NABHEWRGSA-N |
| Literature Reference Author | M.YAMADA,N.MATSUURA,H.SUZUKI,C.KUROSAKA,N.HASEGAWA,M.UBUKATA ,T.TANAKA,M.IINUMA |
| Literature Reference Citation | PHYTOCHEM.,65,3107(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.08.040 |
| Molecular Weight | 406.433 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN30141 |