| SpectraBase Compound ID | 65I7AofK49Q |
|---|---|
| InChI | InChI=1S/C27H40O4/c1-22(2)18-14-16(28)21-24(4)9-6-17(25(5)10-8-20(30)31-25)23(24,3)12-13-27(21)15-26(18,27)11-7-19(22)29/h16-18,21,28H,6-15H2,1-5H3/t16-,17-,18-,21-,23+,24-,25?,26+,27-/m0/s1 |
| InChIKey | AMXFRRZRLVMMCY-DNYRDLEVSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C27H40O4 |
| Exact Mass | 428.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JNwbfGy6DTK |
|---|---|
| Name | SCHISANTERPENE-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O4 |
| InChI | InChI=1S/C27H40O4/c1-22(2)18-14-16(28)21-24(4)9-6-17(25(5)10-8-20(30)31-25)23(24,3)12-13-27(21)15-26(18,27)11-7-19(22)29/h16-18,21,28H,6-15H2,1-5H3/t16-,17-,18-,21-,23+,24-,25?,26+,27-/m0/s1 |
| InChIKey | AMXFRRZRLVMMCY-DNYRDLEVSA-N |
| Literature Reference Author | L.XU,F.HUANG,S.B.CHEN,S.L.CHEN,P.G.XIAO |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,542(2006) |
| Literature Reference DOI | 10.1248/cpb.54.542 |
| Molecular Weight | 428.612 g/mol |
| Sample ID | 55240 |
| Solvent | CDCl3 |