| SpectraBase Compound ID | FCKufphQghm |
|---|---|
| InChI | InChI=1S/C28H35ClO13/c1-12-25(35)42-19-9-17(10-29)7-8-18(38-13(2)30)26(6)21(24(28(12,19)36)41-16(5)33)27(11-37-27)22(34)20(39-14(3)31)23(26)40-15(4)32/h7-9,12,18-24,34,36H,10-11H2,1-6H3/b8-7-,17-9+/t12?,18-,19+,20+,21-,22-,23+,24-,26-,27+,28+/m1/s1 |
| InChIKey | XBUVHXPEZZSOOX-CYEUBQNLSA-N |
| Mol Weight | 615.0 g/mol |
| Molecular Formula | C28H35ClO13 |
| Exact Mass | 614.176619 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 318VjfQOZ0P |
|---|---|
| Name | NUI-INOALIDE-B |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H35ClO13 |
| InChI | InChI=1S/C28H35ClO13/c1-12-25(35)42-19-9-17(10-29)7-8-18(38-13(2)30)26(6)21(24(28(12,19)36)41-16(5)33)27(11-37-27)22(34)20(39-14(3)31)23(26)40-15(4)32/h7-9,12,18-24,34,36H,10-11H2,1-6H3/b8-7-,17-9+/t12?,18-,19+,20+,21-,22-,23+,24-,26-,27+,28+/m1/s1 |
| InChIKey | XBUVHXPEZZSOOX-CYEUBQNLSA-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 | 615.031 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6047 |