| SpectraBase Compound ID | 4lmrKIEIduH |
|---|---|
| InChI | InChI=1S/C22H36O4/c1-13(2)15-8-11-21(5,25-14(3)23)18-16-12-20(4)9-7-10-22(6,26-20)19(24-16)17(15)18/h13,15-19H,7-12H2,1-6H3/t15-,16-,17-,18-,19-,20+,21-,22-/m0/s1 |
| InChIKey | XBXWRLRZRQRZHE-TWGZSJHRSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C22H36O4 |
| Exact Mass | 364.26136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LiCYDEYuMyb |
|---|---|
| Name | Polyanthellin A |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H36O4 |
| InChI | InChI=1S/C22H36O4/c1-13(2)15-8-11-21(5,25-14(3)23)18-16-12-20(4)9-7-10-22(6,26-20)19(24-16)17(15)18/h13,15-19H,7-12H2,1-6H3/t15-,16-,17-,18-,19-,20+,21-,22-/m0/s1 |
| InChIKey | XBXWRLRZRQRZHE-TWGZSJHRSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0204500 |
| Molecular Weight | 364.526 g/mol |
| Optical Rotation | [a]D20 = -9.9 (c = 1.0, CHCl3) |
| Reported Formula | C22H36O4 |
| SMILES | C1C[C@]([C@]2([H])[C@]3([C@]4(O[C@@](C[C@](O3)([C@]2([H])[C@@]1(C)OC(=O)C)[H])(CCC4)C)C)[H])(C(C)C)[H] |
| SPLASH | splash10-0zfr-2918000000-4a5841cd453ae7e3ef6c |
| Source of Spectrum | G4-66-362-10 |
| Wiley ID | 1881281 |