| SpectraBase Compound ID | 1tV2kc9Yq6m |
|---|---|
| InChI | InChI=1S/C26H36O3/c1-23(2)10-5-11-26(16-27)20(23)8-12-24(3)21(26)9-13-25(4)22(24)15-17-14-18(28)6-7-19(17)29-25/h6-7,14,16,20-22,28H,5,8-13,15H2,1-4H3/t20-,21-,22-,24+,25-,26+/m0/s1 |
| InChIKey | RYXAKJYTPYDEOI-SQRMQMBQSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C26H36O3 |
| Exact Mass | 396.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 41CW9qnYp9M |
|---|---|
| Name | Strongylopholine-24 |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.266445016 u |
| Formula | C26H36O3 |
| InChI | InChI=1S/C26H36O3/c1-23(2)10-5-11-26(16-27)20(23)8-12-24(3)21(26)9-13-25(4)22(24)15-17-14-18(28)6-7-19(17)29-25/h6-7,14,16,20-22,28H,5,8-13,15H2,1-4H3/t20-,21-,22-,24+,25-,26+/m0/s1 |
| InChIKey | RYXAKJYTPYDEOI-SQRMQMBQSA-N |
| Instrument Name | Thermo Quest TSQ 700 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np030312q |
| Molecular Weight | 396.571 g/mol |
| Optical Rotation | [a]D26 = -25.5 (c = 1.0, CHCl3) |
| Quality | 102 |
| Reported Formula | C26H36O3 |
| SMILES | OC=1C=CC=2O[C@]3(CC[C@@]4([C@]5(CCCC([C@@]5(CC[C@]4([C@@]3(CC2C1)[H])C)[H])(C)C)C=O)[H])C |
| SPLASH | splash10-0002-2039000000-c62e3a2d437648bbbc75 |
| Source of Spectrum | G4-66-1603-3 (DOI: 10.1021/np030312q) |
| Wiley ID | 1892582 |