| SpectraBase Compound ID | 84r8eJbfpCg |
|---|---|
| InChI | InChI=1S/C37H48N4O9/c1-21-16-22(2)18-24(4)49-32(43)19-30(26-12-14-27(42)15-13-26)39-34(45)31(41(6)35(46)25(5)38-33(44)23(3)17-21)20-37(48-7)28-10-8-9-11-29(28)40-36(47)50-37/h8-16,22-25,30-31,42H,17-20H2,1-7H3,(H,38,44)(H,39,45)(H,40,47)/b21-16+/t22-,23-,24-,25-,30+,31+,37?/m0/s1 |
| InChIKey | FOEVCQQBKHZRMA-JKOMONCISA-N |
| Mol Weight | 692.8 g/mol |
| Molecular Formula | C37H48N4O9 |
| Exact Mass | 692.342129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4niCl3RuKBt |
|---|---|
| Name | JASPLAKINOLIDE_P |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H48N4O9 |
| InChI | InChI=1S/C37H48N4O9/c1-21-16-22(2)18-24(4)49-32(43)19-30(26-12-14-27(42)15-13-26)39-34(45)31(41(6)35(46)25(5)38-33(44)23(3)17-21)20-37(48-7)28-10-8-9-11-29(28)40-36(47)50-37/h8-16,22-25,30-31,42H,17-20H2,1-7H3,(H,38,44)(H,39,45)(H,40,47)/b21-16+/t22-,23-,24-,25-,30+,31+,37?/m0/s1 |
| InChIKey | FOEVCQQBKHZRMA-JKOMONCISA-N |
| Literature Reference Author | S.J.ROBINSON,B.I.MORINAKA,T.AMAGATA,K.TENNEY,W.M.BRAY,N.C.GA SSNER,R.S.LOKEY,P.CR |
| Literature Reference Citation | J.MED.CHEM.,53,1651(2010) |
| Literature Reference DOI | 10.1021/jm9013554 |
| Molecular Weight | 692.810 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ46328 |