| SpectraBase Compound ID | 3iFOtHcHXd7 |
|---|---|
| InChI | InChI=1S/C36H50O14/c1-10-11-12-13-14-15-26(41)49-27-19(2)18-25-36(35(9,50-36)32(42)48-25)31(47-23(6)40)29-33(7,17-16-24(34(29,8)43)44-20(3)37)30(46-22(5)39)28(27)45-21(4)38/h16-18,24-25,27-31,43H,10-15H2,1-9H3/b19-18-/t24-,25+,27+,28-,29-,30+,31-,33+,34-,35+,36+/m0/s1 |
| InChIKey | SDDBDSSLCGRGSD-VRULBCNCSA-N |
| Mol Weight | 706.8 g/mol |
| Molecular Formula | C36H50O14 |
| Exact Mass | 706.320056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4SQY93dgKGT |
|---|---|
| Name | BrIARLIDE-I;3-ACETYLBrIARLIDE-D |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H50O14 |
| InChI | InChI=1S/C36H50O14/c1-10-11-12-13-14-15-26(41)49-27-19(2)18-25-36(35(9,50-36)32(42)48-25)31(47-23(6)40)29-33(7,17-16-24(34(29,8)43)44-20(3)37)30(46-22(5)39)28(27)45-21(4)38/h16-18,24-25,27-31,43H,10-15H2,1-9H3/b19-18-/t24-,25+,27+,28-,29-,30+,31-,33+,34-,35+,36+/m0/s1 |
| InChIKey | SDDBDSSLCGRGSD-VRULBCNCSA-N |
| Literature Reference Author | T.IWAGAWA,N.NISHITANI,M.NAKATANI,M.DOE,Y.MORIMOTO,K.TAKEMURA |
| Literature Reference Citation | J.NAT.PROD.,68,31(2005) |
| Literature Reference DOI | 10.1021/np040133o |
| Molecular Weight | 706.785 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ8440 |