| SpectraBase Compound ID | J9s0ICKR6KD |
|---|---|
| InChI | InChI=1S/C43H67N5O9/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/h14,16-17,19-20,25-28,30-35H,12-13,15,18,21-24H2,1-11H3,(H,44,50)(H,45,49)(H,46,55)/t28-,30-,31-,32-,33-,34-,35+/m0/s1 |
| InChIKey | QFYDXSNSDHTJCX-GEWPGQKGSA-N |
| Mol Weight | 798.0 g/mol |
| Molecular Formula | C43H67N5O9 |
| Exact Mass | 797.493879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ICgpH13tGmp |
|---|---|
| Name | KULOLIDE-3;COMFORMER-2 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H67N5O9 |
| InChI | InChI=1S/C43H67N5O9/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/h14,16-17,19-20,25-28,30-35H,12-13,15,18,21-24H2,1-11H3,(H,44,50)(H,45,49)(H,46,55)/t28-,30-,31-,32-,33-,34-,35+/m0/s1 |
| InChIKey | QFYDXSNSDHTJCX-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 | 798.033 g/mol |
| Sample ID | 37381 |
| Solvent | CD3CN |