8QL
Summary
| Name: | (3S,6S,8S,9S,10R,13S,14R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol |
| Formula: | C19 H30 O2 |
| Formal charge: | 0 |
| Formula weight: | 290.44 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{S},6~{S},8~{S},9~{S},10~{R},13~{S},14~{R})-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,6-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H30O2/c1-18-7-3-4-14(18)13-11-17(21)16-10-12(20)5-9-19(16,2)15(13)6-8-18/h10,12-15,17,20-21H,3-9,11H2,1-2H3/t12-,13-,14+,15-,17-,18-,19+/m0/s1 |
| InChIKey | InChI | 1.03 | ILCBKPIQQXGQQW-FHIGQFGOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]12CCC[C@@H]1[C@@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC2 |
| SMILES | CACTVS | 3.385 | C[C]12CCC[CH]1[CH]3C[CH](O)C4=C[CH](O)CC[C]4(C)[CH]3CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@]12CCC[C@@H]1[C@@H]3C[C@@H](C4=C[C@H](CC[C@@]4([C@H]3CC2)C)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC12CCCC1C3CC(C4=CC(CCC4(C3CC2)C)O)O |
