| SpectraBase Compound ID | 66LQkcWQTYS |
|---|---|
| InChI | InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-38-34(43)31(32(41)26-14-16-29(39)30(40)19-26)33(42)37(35(38)44,18-17-24(5)6)21-28(36(38,9)10)15-12-23(3)4/h12,14,16-17,19,27-28,39-40,42H,1,7,11,13,15,18,20-21H2,2-6,8-10H3/t27?,28-,37-,38+/m1/s1 |
| InChIKey | YQFBXKUXMNHGME-VADGVPSUSA-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 | DgjYc8jVCfy |
|---|---|
| Name | COCCINONE-G |
| Compound Number | 13 |
| 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)11-13-27(25(7)8)20-38-34(43)31(32(41)26-14-16-29(39)30(40)19-26)33(42)37(35(38)44,18-17-24(5)6)21-28(36(38,9)10)15-12-23(3)4/h12,14,16-17,19,27-28,39-40,42H,1,7,11,13,15,18,20-21H2,2-6,8-10H3/t27?,28-,37-,38+/m1/s1 |
| InChIKey | YQFBXKUXMNHGME-VADGVPSUSA-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 | 63918 |
| Solvent | C5D5N |