| SpectraBase Compound ID | 51eUYsO8JnL |
|---|---|
| InChI | InChI=1S/C38H52O7/c1-22(2)11-13-25-20-37-21-26(16-17-34(5,6)44)36(9,10)45-32(37)29(30(41)24-12-14-27(39)28(40)19-24)31(42)38(33(37)43,35(25,7)8)18-15-23(3)4/h11-12,14-15,19,25-26,39-40,44H,13,16-18,20-21H2,1-10H3/t25-,26+,37+,38+/m1/s1 |
| InChIKey | LYZRYIYFZLDGTN-PDNWVDACSA-N |
| Mol Weight | 620.8 g/mol |
| Molecular Formula | C38H52O7 |
| Exact Mass | 620.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LGBe5eqbdvI |
|---|---|
| Name | COCCINONE-C |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H52O7 |
| InChI | InChI=1S/C38H52O7/c1-22(2)11-13-25-20-37-21-26(16-17-34(5,6)44)36(9,10)45-32(37)29(30(41)24-12-14-27(39)28(40)19-24)31(42)38(33(37)43,35(25,7)8)18-15-23(3)4/h11-12,14-15,19,25-26,39-40,44H,13,16-18,20-21H2,1-10H3/t25-,26+,37+,38+/m1/s1 |
| InChIKey | LYZRYIYFZLDGTN-PDNWVDACSA-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 | 620.827 g/mol |
| Sample ID | 63912 |
| Solvent | C5D5N |