| SpectraBase Compound ID | LLA7aOP3BcX |
|---|---|
| InChI | InChI=1S/C36H45N5O6/c1-21-15-22(2)17-24(4)47-33(43)19-30(26-11-13-27(42)14-12-26)40-35(45)32(18-31-28-9-7-8-10-29(28)37-20-38-31)41(6)36(46)25(5)39-34(44)23(3)16-21/h7-15,20,22-25,30,32,42H,16-19H2,1-6H3,(H,39,44)(H,40,45)/b21-15+/t22-,23+,24-,25+,30+,32+/m0/s1 |
| InChIKey | ZXRQVYRBZIHQOC-IKLTYUQQSA-N |
| Mol Weight | 643.8 g/mol |
| Molecular Formula | C36H45N5O6 |
| Exact Mass | 643.336984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | YtC2z01lju |
|---|---|
| Name | JASPLAKINOLIDE_T |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H45N5O6 |
| InChI | InChI=1S/C36H45N5O6/c1-21-15-22(2)17-24(4)47-33(43)19-30(26-11-13-27(42)14-12-26)40-35(45)32(18-31-28-9-7-8-10-29(28)37-20-38-31)41(6)36(46)25(5)39-34(44)23(3)16-21/h7-15,20,22-25,30,32,42H,16-19H2,1-6H3,(H,39,44)(H,40,45)/b21-15+/t22-,23+,24-,25+,30+,32+/m0/s1 |
| InChIKey | ZXRQVYRBZIHQOC-IKLTYUQQSA-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 | 643.783 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ46330 |