| SpectraBase Compound ID | 4ptR9O4bmYx |
|---|---|
| InChI | InChI=1S/C25H40O7/c1-7-8-18(26)31-24(4)11-9-15-14(2)22(27)32-25(5)12-10-17(29-6)23(3,28)13-16-20(24)19(15)21(25)30-16/h14-17,19-21,28H,7-13H2,1-6H3/t14-,15+,16+,17-,19+,20+,21+,23-,24-,25+/m1/s1 |
| InChIKey | IPJWOGNRRLDDDL-QMPJCHAXSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C25H40O7 |
| Exact Mass | 452.277404 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6merteM2LUx |
|---|---|
| Name | Briarellin P |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O7 |
| InChI | InChI=1S/C25H40O7/c1-7-8-18(26)31-24(4)11-9-15-14(2)22(27)32-25(5)12-10-17(29-6)23(3,28)13-16-20(24)19(15)21(25)30-16/h14-17,19-21,28H,7-13H2,1-6H3/t14-,15+,16+,17-,19+,20+,21+,23-,24-,25+/m1/s1 |
| InChIKey | IPJWOGNRRLDDDL-QMPJCHAXSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0204500 |
| Molecular Weight | 452.588 g/mol |
| Optical Rotation | [a]D26 = -8.8 (c = 1.1, CHCl3) |
| Reported Formula | C25H40O7 |
| SMILES | O[C@@]1(C[C@]2([C@@]3([C@@](CC[C@@]4([C@@]3([C@](O2)([C@@](OC([C@@]4(C)[H])=O)(CC[C@]1(OC)[H])C)[H])[H])[H])(OC(CCC)=O)C)[H])[H])C |
| SPLASH | splash10-00si-7931000000-98c7926c43dff9cb061b |
| Source of Spectrum | G4-66-362-9 |
| Wiley ID | 1881288 |