| SpectraBase Compound ID | IHRGzfwnvDq |
|---|---|
| InChI | InChI=1S/C23H29ClO6/c1-11-18(15(25)6-16(26)19(11)24)20(28)30-10-13-5-12-7-21(2,3)8-14(12)22(4)9-17(27)23(13,22)29/h5-6,12,14,17,25-27,29H,7-10H2,1-4H3/t12-,14+,17-,22-,23+/m1/s1 |
| InChIKey | LRJNLSGTPANDCI-PPUVGZBRSA-N |
| Mol Weight | 436.93 g/mol |
| Molecular Formula | C23H29ClO6 |
| Exact Mass | 436.165266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DXFXAtw5C4K |
|---|---|
| Name | MELLEOLIDE-N |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H29ClO6 |
| InChI | InChI=1S/C23H29ClO6/c1-11-18(15(25)6-16(26)19(11)24)20(28)30-10-13-5-12-7-21(2,3)8-14(12)22(4)9-17(27)23(13,22)29/h5-6,12,14,17,25-27,29H,7-10H2,1-4H3/t12-,14+,17-,22-,23+/m1/s1 |
| InChIKey | LRJNLSGTPANDCI-PPUVGZBRSA-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 | 436.933 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWPA3186 |