| SpectraBase Compound ID | LGua3Ixyw8C |
|---|---|
| InChI | InChI=1S/C21H28O7/c1-5-12(2)19(23)27-17-10-15(21(25)26-4)8-6-7-14(11-22)9-16-18(17)13(3)20(24)28-16/h8-9,12,16-18,22H,3,5-7,10-11H2,1-2,4H3/b14-9+,15-8+/t12?,16-,17-,18+/m1/s1 |
| InChIKey | AQFGGOQLDNXCED-WVUWCBFISA-N |
| Mol Weight | 392.45 g/mol |
| Molecular Formula | C21H28O7 |
| Exact Mass | 392.183503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FkFbOub5kwI |
|---|---|
| Name | 9-DESACETOXYMELCANTHIN-F |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28O7 |
| InChI | InChI=1S/C21H28O7/c1-5-12(2)19(23)27-17-10-15(21(25)26-4)8-6-7-14(11-22)9-16-18(17)13(3)20(24)28-16/h8-9,12,16-18,22H,3,5-7,10-11H2,1-2,4H3/b14-9+,15-8+/t12?,16-,17-,18+/m1/s1 |
| InChIKey | AQFGGOQLDNXCED-WVUWCBFISA-N |
| Literature Reference Author | A.J.MALCOLM,N.H.FISCHER |
| Literature Reference Citation | J.NAT.PROD.,50,167(1987) |
| Literature Reference DOI | 10.1021/np50050a006 |
| Molecular Weight | 392.449 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW20359 |