| SpectraBase Compound ID | 67d2JEXMjpr |
|---|---|
| InChI | InChI=1S/C36H52O14/c1-9-10-11-12-13-14-30(41)45-19-25-15-16-26(46-21(3)37)34(7)27(47-22(4)38)18-28(48-23(5)39)35(8,43)31(34)32(49-24(6)40)36(44)20(2)33(42)50-29(36)17-25/h15-17,20,26-29,31-32,43-44H,9-14,18-19H2,1-8H3/b16-15-,25-17+/t20-,26-,27-,28+,29-,31+,32-,34-,35+,36-/m0/s1 |
| InChIKey | AVKWCSGMZJPGJL-FSFHKPIZSA-N |
| Mol Weight | 708.8 g/mol |
| Molecular Formula | C36H52O14 |
| Exact Mass | 708.335706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hw4H36zJeLG |
|---|---|
| Name | BRIAREIN-I |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52O14 |
| InChI | InChI=1S/C36H52O14/c1-9-10-11-12-13-14-30(41)45-19-25-15-16-26(46-21(3)37)34(7)27(47-22(4)38)18-28(48-23(5)39)35(8,43)31(34)32(49-24(6)40)36(44)20(2)33(42)50-29(36)17-25/h15-17,20,26-29,31-32,43-44H,9-14,18-19H2,1-8H3/b16-15-,25-17+/t20-,26-,27-,28+,29-,31+,32-,34-,35+,36-/m0/s1 |
| InChIKey | AVKWCSGMZJPGJL-FSFHKPIZSA-N |
| Literature Reference Author | A.D.RODRIGUEZ,C.RAMIREZ,O.M.COBAR |
| Literature Reference Citation | J.NAT.PROD.,59,15(1996) |
| Literature Reference DOI | 10.1021/np960001y |
| Molecular Weight | 708.800 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP875 |