| SpectraBase Compound ID | 2dAVWPRUCaA |
|---|---|
| InChI | InChI=1S/C41H64O9/c1-23(2)28-20-31(42)26(5)12-10-11-24(3)18-32(43)29-19-27(6)37-30(41(29,22-33(28)44)38(47)49-9)17-25(4)13-14-35(46)40(8)16-15-36(50-40)39(7,48)21-34(37)45/h17,23-24,26,28-30,34-36,45-46,48H,10-16,18-22H2,1-9H3/b25-17+/t24-,26+,28-,29+,30-,34+,35-,36-,39-,40-,41+/m0/s1 |
| InChIKey | XXMUPBKTFLDAKN-CSPWNIEISA-N |
| Mol Weight | 701.0 g/mol |
| Molecular Formula | C41H64O9 |
| Exact Mass | 700.455034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JEQa0rBKq0D |
|---|---|
| Name | LOBOPHYTONE-O |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H64O9 |
| InChI | InChI=1S/C41H64O9/c1-23(2)28-20-31(42)26(5)12-10-11-24(3)18-32(43)29-19-27(6)37-30(41(29,22-33(28)44)38(47)49-9)17-25(4)13-14-35(46)40(8)16-15-36(50-40)39(7,48)21-34(37)45/h17,23-24,26,28-30,34-36,45-46,48H,10-16,18-22H2,1-9H3/b25-17+/t24-,26+,28-,29+,30-,34+,35-,36-,39-,40-,41+/m0/s1 |
| InChIKey | XXMUPBKTFLDAKN-CSPWNIEISA-N |
| Literature Reference Author | P.YAN,Z.DENG,L.V.OFWEGEN,P.PROKSCH,W.LIN |
| Literature Reference Citation | MAR.DRUGS,8,2837(2010) |
| Literature Reference DOI | 10.3390/md8112848 |
| Molecular Weight | 700.954 g/mol |
| Source File Reference | UWIR6287 |