| SpectraBase Compound ID | BqPXt2icMTE |
|---|---|
| InChI | InChI=1S/C23H31ClO7/c1-10-17(14(26)5-15(27)18(10)24)20(29)31-16-8-22(4)12-7-21(2,3)6-11(12)19(28)13(9-25)23(16,22)30/h5,11-13,16,19,25-28,30H,6-9H2,1-4H3/t11-,12+,13-,16-,19+,22-,23+/m1/s1 |
| InChIKey | DEMXZQWBLZZLIK-NROMFKPGSA-N |
| Mol Weight | 454.95 g/mol |
| Molecular Formula | C23H31ClO7 |
| Exact Mass | 454.175831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DwX8mM9vH2C |
|---|---|
| Name | MELLEOLIDE-Q |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H31ClO7 |
| InChI | InChI=1S/C23H31ClO7/c1-10-17(14(26)5-15(27)18(10)24)20(29)31-16-8-22(4)12-7-21(2,3)6-11(12)19(28)13(9-25)23(16,22)30/h5,11-13,16,19,25-28,30H,6-9H2,1-4H3/t11-,12+,13-,16-,19+,22-,23+/m1/s1 |
| InChIKey | DEMXZQWBLZZLIK-NROMFKPGSA-N |
| Literature Reference Author | C.C.CHEN,Y.H.KUO,J.J.CHENG,P.J.SUNG,C.L.NI,C.C.CHEN,C.C.SHEN |
| Literature Reference Citation | MOLECULES,20,9994(2015) |
| Literature Reference DOI | 10.3390/molecules20069994 |
| Molecular Weight | 454.948 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWPA3187 |