| SpectraBase Compound ID | IglEPeJMg8D |
|---|---|
| InChI | InChI=1S/C38H52O8/c1-21(2)11-13-24-19-37-20-25(18-28(41)35(7,8)45)34(5,6)38(33(37)44,16-15-22(3)4)31(43)29(32(37)46-36(24,9)10)30(42)23-12-14-26(39)27(40)17-23/h11-12,14-15,17,24-25,28,39-41,45H,13,16,18-20H2,1-10H3/t24-,25+,28?,37+,38-/m0/s1 |
| InChIKey | LSEYPIXFPUCVGX-VGIKRCFESA-N |
| Mol Weight | 636.8 g/mol |
| Molecular Formula | C38H52O8 |
| Exact Mass | 636.366219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CbCLo7kidlK |
|---|---|
| Name | COCCINONE-D |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H52O8 |
| InChI | InChI=1S/C38H52O8/c1-21(2)11-13-24-19-37-20-25(18-28(41)35(7,8)45)34(5,6)38(33(37)44,16-15-22(3)4)31(43)29(32(37)46-36(24,9)10)30(42)23-12-14-26(39)27(40)17-23/h11-12,14-15,17,24-25,28,39-41,45H,13,16,18-20H2,1-10H3/t24-,25+,28?,37+,38-/m0/s1 |
| InChIKey | LSEYPIXFPUCVGX-VGIKRCFESA-N |
| Literature Reference Author | G.MARTI,V.EPARVIER,C.MORETTI,S.SUSPLUGAS,S.PRADO,P.GRELLIER, P.RETAILLEAU,F.GUERI |
| Literature Reference Citation | PHYTOCHEM.,70,75(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.10.005 |
| Molecular Weight | 636.826 g/mol |
| Sample ID | 63913 |
| Solvent | C5D5N |