| SpectraBase Compound ID | 8MfsqBve7p6 |
|---|---|
| InChI | InChI=1S/C21H32O8/c1-9-6-14-12(10(2)19(26)27-14)7-13-11(9)4-5-21(13,3)29-20-18(25)17(24)16(23)15(8-22)28-20/h10-18,20,22-25H,1,4-8H2,2-3H3/t10-,11+,12?,13+,14+,15+,16+,17-,18+,20-,21+/m0/s1 |
| InChIKey | INJZVJKIFPZAKG-XOJTVJPESA-N |
| Mol Weight | 412.5 g/mol |
| Molecular Formula | C21H32O8 |
| Exact Mass | 412.209718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61UQW1RfYLS |
|---|---|
| Name | LEMMONIN-C |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32O8 |
| InChI | InChI=1S/C21H32O8/c1-9-6-14-12(10(2)19(26)27-14)7-13-11(9)4-5-21(13,3)29-20-18(25)17(24)16(23)15(8-22)28-20/h10-18,20,22-25H,1,4-8H2,2-3H3/t10-,11+,12?,13+,14+,15+,16+,17-,18+,20-,21+/m0/s1 |
| InChIKey | INJZVJKIFPZAKG-XOJTVJPESA-N |
| Literature Reference Author | F.GAO,H.WANG,T.J.MABRY |
| Literature Reference Citation | PHYTOCHEM.,29,1601(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80130-9 |
| Molecular Weight | 412.480 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU32064 |