| CID | 76 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 508 |
| pubchem_cactvs_hbond_acceptor | 2 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 0 |
| pubchem_cactvs_subskeys | AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAAyYIAAAAAAAGCIAAAAGgAACAAADxSggAICAAAAAgCIAqBSAAAAAAAgAAAACAEAAAgAEBIAAQAAQAAEwAAIAAOIyPCPgAAAAAAAAADAAAQAACAAAAAACAAAAA== |
| pubchem_iupac_openeye_name | 3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one |
| pubchem_iupac_cas_name | 3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one |
| pubchem_iupac_systematic_name | 3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one |
| pubchem_iupac_traditional_name | 3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one |
| pubchem_nist_inchi | InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3 |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 288.20893 |
| pubchem_molecular_formula | C19H28O2 |
| pubchem_molecular_weight | 288.42442 |
| pubchem_openeye_can_smiles | CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C |
| pubchem_openeye_iso_smiles | CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C |
| pubchem_cactvs_tpsa | 37.3 |
| pubchem_monoisotopic_weight | 288.20893 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 21 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 6 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 2 |
| pubchem_bondannotations | 21 48 3
3 22 3
4 23 3
5 24 3
6 17 3
7 18 3 |
