NQ8
Summary
| Name: | (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| Formula: | C19 H30 O |
| Formal charge: | 0 |
| Formula weight: | 274.441 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1 |
| InChIKey | InChI | 1.03 | VMNRNUNYBVFVQI-QYXZOKGRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC2 |
| SMILES | CACTVS | 3.385 | C[C]12CCC[CH]1[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3CC2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC12CCCC1C3CCC4CC(=O)CCC4(C3CC2)C |
