| SpectraBase Compound ID | 2CBWPR5Nazi |
|---|---|
| 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-SHWKSEGHSA-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 | 8hF1Elr4XyO |
|---|---|
| Name | NUI-INOALIDE-C |
| Compound Number | 8 |
| 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-SHWKSEGHSA-N |
| Literature Reference Author | M.T.HAMANN,K.N.HARRISON,A.R.CARROLL,P.J.SCHEUER |
| Literature Reference Citation | HETEROCYCLES,42,325(1996) |
| Literature Reference DOI | 10.3987/COM-95-S39 |
| Molecular Weight | 585.048 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6048 |