| SpectraBase Compound ID | 3bxyppoClu1 |
|---|---|
| InChI | InChI=1S/C21H26O9/c1-8(2)19(24)30-15-13-10(4)20(25)28-12(13)7-9(3)14-16(29-14)17(23)21(6,26)18(15)27-11(5)22/h9,12-16,18,26H,1,4,7H2,2-3,5-6H3/t9-,12-,13+,14+,15+,16+,18-,21+/m1/s1 |
| InChIKey | BRBRVKOYZAMSBL-PXFMFDQNSA-N |
| Mol Weight | 422.43 g/mol |
| Molecular Formula | C21H26O9 |
| Exact Mass | 422.157682 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6uRDxFWjF6i |
|---|---|
| Name | CALEALACTONE-B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H26O9 |
| InChI | InChI=1S/C21H26O9/c1-8(2)19(24)30-15-13-10(4)20(25)28-12(13)7-9(3)14-16(29-14)17(23)21(6,26)18(15)27-11(5)22/h9,12-16,18,26H,1,4,7H2,2-3,5-6H3/t9-,12-,13+,14+,15+,16+,18-,21+/m1/s1 |
| InChIKey | BRBRVKOYZAMSBL-PXFMFDQNSA-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 | 422.432 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN30139 |