| SpectraBase Compound ID | DsGTjH4RnGu |
|---|---|
| InChI | InChI=1S/C26H38O7/c1-7-8-20(28)32-25(5)11-9-17-15(3)24(29)33-26(6)12-10-18(30-16(4)27)14(2)13-19-22(25)21(17)23(26)31-19/h15,17-19,21-23H,2,7-13H2,1,3-6H3/t15-,17+,18-,19+,21+,22+,23+,25-,26+/m1/s1 |
| InChIKey | VFRMMXJTKVAFEN-QIEIXIRHSA-N |
| Mol Weight | 462.6 g/mol |
| Molecular Formula | C26H38O7 |
| Exact Mass | 462.261754 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ENKDwbDPU09 |
|---|---|
| Name | Briarellin L |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H38O7 |
| InChI | InChI=1S/C26H38O7/c1-7-8-20(28)32-25(5)11-9-17-15(3)24(29)33-26(6)12-10-18(30-16(4)27)14(2)13-19-22(25)21(17)23(26)31-19/h15,17-19,21-23H,2,7-13H2,1,3-6H3/t15-,17+,18-,19+,21+,22+,23+,25-,26+/m1/s1 |
| InChIKey | VFRMMXJTKVAFEN-QIEIXIRHSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0204500 |
| Molecular Weight | 462.583 g/mol |
| Optical Rotation | [a]D26 = -20.8 (c = 1.2, CHCl3) |
| Reported Formula | C26H38O7 |
| SMILES | C1[C@]([C@@]2([C@@]3([C@@](C1)([C@](C(O[C@@]1([C@]3(O[C@]2(CC([C@@](CC1)(OC(C)=O)[H])=C)[H])[H])C)=O)(C)[H])[H])[H])[H])(OC(CCC)=O)C |
| SPLASH | splash10-01b9-2091000000-136297d6ab2c0afded41 |
| Source of Spectrum | G4-66-362-5 |
| Wiley ID | 1881284 |