| SpectraBase Compound ID | 8nfXDdVMrJj |
|---|---|
| InChI | InChI=1S/C23H32O9/c1-10-7-16-14(11(2)21(28)30-16)8-15-13(10)5-6-23(15,4)32-22-20(27)19(26)18(25)17(31-22)9-29-12(3)24/h13-20,22,25-27H,1-2,5-9H2,3-4H3/t13-,14?,15-,16-,17-,18-,19+,20-,22+,23-/m1/s1 |
| InChIKey | ZFGCXKKWHJYYDK-KTCLWXALSA-N |
| Mol Weight | 452.5 g/mol |
| Molecular Formula | C23H32O9 |
| Exact Mass | 452.204633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Do1zAYnVbdT |
|---|---|
| Name | LEMMONIN-A |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H32O9 |
| InChI | InChI=1S/C23H32O9/c1-10-7-16-14(11(2)21(28)30-16)8-15-13(10)5-6-23(15,4)32-22-20(27)19(26)18(25)17(31-22)9-29-12(3)24/h13-20,22,25-27H,1-2,5-9H2,3-4H3/t13-,14?,15-,16-,17-,18-,19+,20-,22+,23-/m1/s1 |
| InChIKey | ZFGCXKKWHJYYDK-KTCLWXALSA-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 | 452.502 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU32062 |