| SpectraBase Compound ID | 4NnOxEGE3sI |
|---|---|
| InChI | InChI=1S/C38H50O6/c1-22(2)10-12-25-19-37-20-26-15-16-34(5,6)21-36(26,9)44-32(37)29(30(41)24-11-13-27(39)28(40)18-24)31(42)38(33(37)43,35(25,7)8)17-14-23(3)4/h10-11,13-14,18,25-26,39-40H,12,15-17,19-21H2,1-9H3/t25-,26-,36-,37+,38+/m0/s1 |
| InChIKey | GMGOIMBTFUZMKT-FGSMJFNVSA-N |
| Mol Weight | 602.8 g/mol |
| Molecular Formula | C38H50O6 |
| Exact Mass | 602.360739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kjag7V4KlEq |
|---|---|
| Name | COCCINONE-A |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H50O6 |
| InChI | InChI=1S/C38H50O6/c1-22(2)10-12-25-19-37-20-26-15-16-34(5,6)21-36(26,9)44-32(37)29(30(41)24-11-13-27(39)28(40)18-24)31(42)38(33(37)43,35(25,7)8)17-14-23(3)4/h10-11,13-14,18,25-26,39-40H,12,15-17,19-21H2,1-9H3/t25-,26-,36-,37+,38+/m0/s1 |
| InChIKey | GMGOIMBTFUZMKT-FGSMJFNVSA-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 | 602.811 g/mol |
| Sample ID | 63910 |
| Solvent | C5D5N |