| SpectraBase Compound ID | A3HhVHjVv0o |
|---|---|
| InChI | InChI=1S/C24H38O7/c1-6-7-17(26)30-23(4)10-8-14-13(2)21(27)31-24(5)11-9-16(25)22(3,28)12-15-19(23)18(14)20(24)29-15/h13-16,18-20,25,28H,6-12H2,1-5H3/t13-,14+,15+,16-,18+,19+,20+,22-,23-,24+/m1/s1 |
| InChIKey | UPNPHDYOBCYLCB-XHMSHHNHSA-N |
| Mol Weight | 438.6 g/mol |
| Molecular Formula | C24H38O7 |
| Exact Mass | 438.261754 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EdFHmLb0HNd |
|---|---|
| Name | Briarellin O |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H38O7 |
| InChI | InChI=1S/C24H38O7/c1-6-7-17(26)30-23(4)10-8-14-13(2)21(27)31-24(5)11-9-16(25)22(3,28)12-15-19(23)18(14)20(24)29-15/h13-16,18-20,25,28H,6-12H2,1-5H3/t13-,14+,15+,16-,18+,19+,20+,22-,23-,24+/m1/s1 |
| InChIKey | UPNPHDYOBCYLCB-XHMSHHNHSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0204500 |
| Molecular Weight | 438.561 g/mol |
| Optical Rotation | [a]D26 = -24.4 (c = 1.1, CHCl3) |
| Reported Formula | C24H38O7 |
| SMILES | O[C@@]1(CC[C@]2([C@@]3([C@]4([C@@](CC[C@]([C@]4([C@](C[C@@]1(C)O)(O3)[H])[H])(OC(CCC)=O)C)([C@](C(O2)=O)(C)[H])[H])[H])[H])C)[H] |
| SPLASH | splash10-05fr-9434000000-63abc12cf2d6c6c9394f |
| Source of Spectrum | G4-66-362-8 |
| Wiley ID | 1881287 |