| SpectraBase Compound ID | GHSOe20LhMc |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-11-13-9-12-5-6-16-19(2,3)17(21)7-8-20(16,4)14(12)10-15(13)23-18(11)22/h9,14-17,21H,5-8,10H2,1-4H3/t14-,15-,16-,17+,20+/m1/s1 |
| InChIKey | KZIADLALQLRZIQ-PANQXIRQSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B0JAQJpuU4f |
|---|---|
| Name | Helioscopinolide B |
| Appearance | Colorless crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-11-13-9-12-5-6-16-19(2,3)17(21)7-8-20(16,4)14(12)10-15(13)23-18(11)22/h9,14-17,21H,5-8,10H2,1-4H3/t14-,15-,16-,17+,20+/m1/s1 |
| InChIKey | KZIADLALQLRZIQ-PANQXIRQSA-N |
| Instrument Name | Kratos MS25RF |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0400048 |
| Molecular Weight | 316.441 g/mol |
| Optical Rotation | [a]D25 = +170 (c = 0.17, CHCl3) |
| SMILES | O[C@@]1(C([C@@]2([C@@](CC1)([C@]1(C(CC2)=CC=2[C@@](C1)(OC(C2C)=O)[H])[H])C)[H])(C)C)[H] |
| SPLASH | splash10-03dr-1900000000-2eacdba2566fc9124542 |
| Source of Spectrum | G4-67-SM3-3 |
| Wiley ID | 1881805 |