SpectraBase Compound ID | 12IaNCDfwA9 |
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InChI | InChI=1S/C39H52O9/c1-22(2)35-20-24(4)39-29-32(35)46-37(47-35,48-39)19-13-8-6-7-10-14-23(3)28-25(5)31(41)38(43,30(28)39)34(42)36(33(29)45-36)21-44-27(40)18-17-26-15-11-9-12-16-26/h9,11-12,15-18,23-25,28-34,41-43H,1,6-8,10,13-14,19-21H2,2-5H3/b18-17+/t23-,24-,25+,28+,29-,30-,31+,32-,33+,34-,35-,36+,37-,38-,39-/m1/s1 |
InChIKey | YHVLCEOJQVQJAU-QNOWBMRMSA-N |
Mol Weight | 664.8 g/mol |
Molecular Formula | C39H52O9 |
Exact Mass | 664.361133 g/mol |
SpectraBase Spectrum ID | H2q0ZjQAMx6 |
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Name | WIKSTROELIDE-Q |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C39H52O9 |
InChI | InChI=1S/C39H52O9/c1-22(2)35-20-24(4)39-29-32(35)46-37(47-35,48-39)19-13-8-6-7-10-14-23(3)28-25(5)31(41)38(43,30(28)39)34(42)36(33(29)45-36)21-44-27(40)18-17-26-15-11-9-12-16-26/h9,11-12,15-18,23-25,28-34,41-43H,1,6-8,10,13-14,19-21H2,2-5H3/b18-17+/t23-,24-,25+,28+,29-,30-,31+,32-,33+,34-,35-,36+,37-,38-,39-/m1/s1 |
InChIKey | YHVLCEOJQVQJAU-QNOWBMRMSA-N |
Literature Reference Author | J.GUO,J.ZHANG,P.SHU,L.KONG,X.HAO,Y.XUE,Z.LUO,G.LI,G.YAO,Y.ZH ANG |
Literature Reference Citation | MOLECULES,17,6424(2012) |
Literature Reference DOI | 10.3390/molecules17066424 |
Molecular Weight | 664.836 g/mol |
Sample ID | 953 |
Solvent | CDCl3 |