| SpectraBase Compound ID | 6uct0S2E0Ld |
|---|---|
| InChI | InChI=1S/C36H48O12/c1-9-10-11-12-13-14-15-16-27(40)47-33(20(2)3)18-22(5)35(42)26-17-21(4)29(41)36(26,43)32(46-25(8)39)34(19-44-23(6)37)31(48-34)28(35)30(33)45-24(7)38/h13-17,22,26,28,30-32,42-43H,2,9-12,18-19H2,1,3-8H3/b14-13+,16-15+/t22-,26+,28-,30-,31+,32-,33-,34+,35+,36-/m1/s1 |
| InChIKey | SLXPJEQXFUVXNB-FHMYITEASA-N |
| Mol Weight | 672.8 g/mol |
| Molecular Formula | C36H48O12 |
| Exact Mass | 672.314577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKGRwhbExEN |
|---|---|
| Name | ISOVESICULOSIN-ACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H48O12 |
| InChI | InChI=1S/C36H48O12/c1-9-10-11-12-13-14-15-16-27(40)47-33(20(2)3)18-22(5)35(42)26-17-21(4)29(41)36(26,43)32(46-25(8)39)34(19-44-23(6)37)31(48-34)28(35)30(33)45-24(7)38/h13-17,22,26,28,30-32,42-43H,2,9-12,18-19H2,1,3-8H3/b14-13+,16-15+/t22-,26+,28-,30-,31+,32-,33-,34+,35+,36-/m1/s1 |
| InChIKey | SLXPJEQXFUVXNB-FHMYITEASA-N |
| Literature Reference Author | R.G.POWELL,D.WEISLEDER,C.R.SMITH |
| Literature Reference Citation | J.NAT.PROD.,48,102(1985) |
| Literature Reference DOI | 10.1021/np50037a018 |
| Molecular Weight | 672.770 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS3572 |