SpectraBase Compound ID | 3zMTlU6myPr |
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InChI | InChI=1S/C43H65N5O9/c1-12-13-15-22-32-43(9,10)42(55)46-34(26(4)5)39(52)47(11)35(27(6)7)41(54)56-31(24-29-19-16-14-17-20-29)38(51)48-23-18-21-30(48)36(49)45-33(25(2)3)37(50)44-28(8)40(53)57-32/h12,14,16-17,19-20,25-28,30-35H,1,13,15,18,21-24H2,2-11H3,(H,44,50)(H,45,49)(H,46,55)/t28-,30-,31-,32-,33-,34-,35+/m0/s1 |
InChIKey | PQACFNURDAXKOI-GEWPGQKGSA-N |
Mol Weight | 796.0 g/mol |
Molecular Formula | C43H65N5O9 |
Exact Mass | 795.478229 g/mol |
SpectraBase Spectrum ID | 9lqCfTBvu4X |
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Name | KULOLIDE-2;COMFORMER-1 |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C43H65N5O9 |
InChI | InChI=1S/C43H65N5O9/c1-12-13-15-22-32-43(9,10)42(55)46-34(26(4)5)39(52)47(11)35(27(6)7)41(54)56-31(24-29-19-16-14-17-20-29)38(51)48-23-18-21-30(48)36(49)45-33(25(2)3)37(50)44-28(8)40(53)57-32/h12,14,16-17,19-20,25-28,30-35H,1,13,15,18,21-24H2,2-11H3,(H,44,50)(H,45,49)(H,46,55)/t28-,30-,31-,32-,33-,34-,35+/m0/s1 |
InChIKey | PQACFNURDAXKOI-GEWPGQKGSA-N |
Literature Reference Author | Y.NAKAO,W.Y.YOSHIDA,C.M.SZABO,B.J.BAKER,P.J.SCHEUER |
Literature Reference Citation | J.ORG.CHEM.,63,3272(1998) |
Literature Reference DOI | 10.1021/jo9719867 |
Molecular Weight | 796.017 g/mol |
Sample ID | 37378 |
Solvent | CD3CN |