SpectraBase Compound ID | HfCIS3pXhix |
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InChI | InChI=1S/C38H50O7/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/h11-12,14-17,19,25-26,39-40,44H,13,18,20-21H2,1-10H3/b17-16+/t25-,26+,37+,38+/m1/s1 |
InChIKey | JLAFCMSSCDCWHQ-RDIBSORHSA-N |
Mol Weight | 618.8 g/mol |
Molecular Formula | C38H50O7 |
Exact Mass | 618.355654 g/mol |
SpectraBase Spectrum ID | 9b7rc6kftZV |
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Name | COCCINONE-B |
Compound Number | 5 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C38H50O7 |
InChI | InChI=1S/C38H50O7/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/h11-12,14-17,19,25-26,39-40,44H,13,18,20-21H2,1-10H3/b17-16+/t25-,26+,37+,38+/m1/s1 |
InChIKey | JLAFCMSSCDCWHQ-RDIBSORHSA-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 | 618.811 g/mol |
Sample ID | 63911 |
Solvent | C5D5N |