E1
Molecular structure via molpic
Conformer structure via 3Dmol.js
Molecular formula C18 H22 O2 Molecular mass 270.4 g/mol Density 1.236 g/cu cm at 25 °C g/cm3 Appearance Small, white crystals, or white to creamy white, crystalline powder Odor Odorless Predicted LogP 3.1 Melting point 258-261 °C Decomposition When heated to decomposition it emits acrid smoke and fumes. Solubility Slightly soluble in ethanol, ethyl ether, benzene; soluble in acetone, dioxane
Identifiers[ ]
IUPAC name (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one SMILES CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 InChIKey DNXHEGUUPJUMQT-CBZIJGRNSA-N