![7-(4-((1R,4S,7R)-7-hydroxy-2-octylbicyclo[2.2.1]heptan-7-yl)phenyl)-2-octylbicyclo[2.2.1]heptan-7-ol](/api/spectrum/BlYQL8BRya3/structure.png?h=300&w=458 "7-(4-((1R,4S,7R)-7-hydroxy-2-octylbicyclo[2.2.1]heptan-7-yl)phenyl)-2-octylbicyclo[2.2.1]heptan-7-ol")
| SpectraBase Compound ID | FNR2uRUTqB6 |
|---|---|
| InChI | InChI=1S/C36H58O2/c1-3-5-7-9-11-13-15-27-25-31-21-23-33(27)35(31,37)29-17-19-30(20-18-29)36(38)32-22-24-34(36)28(26-32)16-14-12-10-8-6-4-2/h17-20,27-28,31-34,37-38H,3-16,21-26H2,1-2H3/t27-,28-,31+,32+,33-,34-,35-,36-/m1/s1 |
| InChIKey | ZFPMUAWIBFXYJD-QHNIKEGDSA-N |
| Mol Weight | 522.9 g/mol |
| Molecular Formula | C36H58O2 |
| Exact Mass | 522.443681 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BlYQL8BRya3 |
|---|---|
| Name | 7-(4-((1R,4S,7R)-7-hydroxy-2-octylbicyclo[2.2.1]heptan-7-yl)phenyl)-2-octylbicyclo[2.2.1]heptan-7-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H58O2 |
| InChI | InChI=1S/C36H58O2/c1-3-5-7-9-11-13-15-27-25-31-21-23-33(27)35(31,37)29-17-19-30(20-18-29)36(38)32-22-24-34(36)28(26-32)16-14-12-10-8-6-4-2/h17-20,27-28,31-34,37-38H,3-16,21-26H2,1-2H3/t27-,28-,31+,32+,33-,34-,35-,36-/m1/s1 |
| InChIKey | ZFPMUAWIBFXYJD-QHNIKEGDSA-N |
| Literature Reference DOI | 10.1021/ol071161b |
| Molecular Weight | 522.858 g/mol |
| SMILES | O[C@@]1(c2ccc([C@@]3([C@@]4(CC[C@]3(C[C@]4(CCCCCCCC)[H])[H])[H])O)cc2)[C@]2([C@](CCCCCCCC)(C[C@@]1(CC2)[H])[H])[H] |
| SPLASH | splash10-00di-6226090000-bbc60b2109e81d16728c |
| Source of Spectrum | A1-9-2943/SMS7-syn_syn_8 |
| Wiley ID | 1758348 |