| SpectraBase Compound ID | JKk3oorOYns |
|---|---|
| InChI | InChI=1S/C28H37ClO11/c1-12-9-10-20(37-16(5)31)27(8)21(13(2)11-19(36-15(4)30)23(27)38-17(6)32)24(39-18(7)33)28(35)14(3)26(34)40-25(28)22(12)29/h14,19-25,35H,1-2,9-11H2,3-8H3/t14-,19-,20-,21+,22-,23-,24-,25-,27+,28+/m0/s1 |
| InChIKey | IFWARJNCQCHBFL-NUIQRSBPSA-N |
| Mol Weight | 585.0 g/mol |
| Molecular Formula | C28H37ClO11 |
| Exact Mass | 584.20244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EpdpSq8pyd3 |
|---|---|
| Name | FRAJUNOLIDE-O |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H37ClO11 |
| InChI | InChI=1S/C28H37ClO11/c1-12-9-10-20(37-16(5)31)27(8)21(13(2)11-19(36-15(4)30)23(27)38-17(6)32)24(39-18(7)33)28(35)14(3)26(34)40-25(28)22(12)29/h14,19-25,35H,1-2,9-11H2,3-8H3/t14-,19-,20-,21+,22-,23-,24-,25-,27+,28+/m0/s1 |
| InChIKey | IFWARJNCQCHBFL-NUIQRSBPSA-N |
| Literature Reference Author | C.C.LIAW,Y.H.KUO,Y.S.LIN,T.L.HWANG,Y.C.SHEN |
| Literature Reference Citation | MAR.DRUGS,9,1477(2011) |
| Literature Reference DOI | 10.3390/md9091477 |
| Molecular Weight | 585.048 g/mol |
| Source File Reference | UWBT7031 |