| PDB CCD ID: | QU7 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C28 H34 O |
| InChI: | InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m1/s1 |
| InChIKey: | ZFXMYHPLTQTTFW-FULLSBAXSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CCCCCCC1=C(c2ccccc2)[C@]3(CC[C@H](O)[C@H]3C1)C(=C)c4ccccc4 | | OpenEye OEToolkits 2.0.7 | CCCCCCC1=C([C@]2(CC[C@@H]([C@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 | | CACTVS 3.385 | CCCCCCC1=C(c2ccccc2)[C]3(CC[CH](O)[CH]3C1)C(=C)c4ccccc4 | | ACDLabs 12.01 | C21CC(=C(C1(CCC2O)/C(c3ccccc3)=C)c4ccccc4)CCCCCC | | OpenEye OEToolkits 2.0.7 | CCCCCCC1=C(C2(CCC(C2C1)O)C(=C)c3ccccc3)c4ccccc4 |
|
| Name: | (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol;
SS-RJW100 |
| ChEMBL: | CHEMBL5271417 |
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