| SpectraBase Compound ID | LKnhNFfzbHq |
|---|---|
| InChI | InChI=1S/C20H26O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-11,13,15-17,23-25H,5-7H2,1-3H3/t9-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1 |
| InChIKey | VLYMLZRDCSQUQF-RZUZYEBMSA-N |
| Mol Weight | 378.42 g/mol |
| Molecular Formula | C20H26O7 |
| Exact Mass | 378.167853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JDAL1zG8kqT |
|---|---|
| Name | CHAPARRINONE |
| CAS Registry Number | 22611-34-3 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H26O7 |
| InChI | InChI=1S/C20H26O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-11,13,15-17,23-25H,5-7H2,1-3H3/t9-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1 |
| InChIKey | VLYMLZRDCSQUQF-RZUZYEBMSA-N |
| Literature Reference Author | J.POLONSKY,Z.BASKEVITCH,H.E.GOTTLIEB,E.W.HAGAMAN,E.WENKERT |
| Literature Reference Citation | J.ORG.CHEM.,40,2499(1975) |
| Literature Reference DOI | 10.1021/jo00905a017 |
| Molecular Weight | 378.422 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS12414 |