| SpectraBase Compound ID | IkN2rIqHDxr |
|---|---|
| InChI | InChI=1S/C22H28O8/c1-7-12(3)20(25)30-18-17-13(4)21(26)29-15(17)10-11(2)8-9-16(24)22(6,27)19(18)28-14(5)23/h7-9,11,15,17-19,27H,4,10H2,1-3,5-6H3/b9-8-,12-7-/t11-,15+,17?,18-,19+,22+/m0/s1 |
| InChIKey | DXPFQBFCOCKNEU-FWPORJENSA-N |
| Mol Weight | 420.46 g/mol |
| Molecular Formula | C22H28O8 |
| Exact Mass | 420.178418 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CiHFTynPJxQ |
|---|---|
| Name | CALEIN A |
| Compound Number | 294 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C22H28O8/c1-7-12(3)20(25)30-18-17-13(4)21(26)29-15(17)10-11(2)8-9-16(24)22(6,27)19(18)28-14(5)23/h7-9,11,15,17-19,27H,4,10H2,1-3,5-6H3/b9-8-,12-7-/t11-,15+,17?,18-,19+,22+/m0/s1 |
| InChIKey | DXPFQBFCOCKNEU-FWPORJENSA-N |
| Literature Reference | A.UR-RAHMAN,V.U.AHMAD NAT.PROD.VOL.1 |
| Solvent | Chloroform-d |