(17E)-11-Hydroxy-17-(2-Hydroxyethylidene)-10,13-Dimethyl-7,8,9,11,12,1 4,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-3-One
[CAS# 28449-40-3]

Identification

• Name: (17E)-11-Hydroxy-17-(2-Hydroxyethylidene)-10,13-Dimethyl-7,8,9,11,12,1 4,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (17E)-11-Hydroxy-17-(2-Hydroxyethylidene)-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-One; Nsc48982
• Molecular Formula: C₂₁H₂₈O₃
• Molecular Weight: 328.45
• CAS Registry Number: 28449-40-3
• SMILES: C(\C=C/4C3(CC(C2C1(C=CC(=O)C=C1CCC2C3CC4)C)O)C)O
• InChI: 1S/C21H28O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h7-9,11,16-19,22,24H,3-6,10,12H2,1-2H3/b13-8+
• InChIKey: FIMYJWIQTVIDQB-MDWZMJQESA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 511.137°C at 760 mmHg (Cal.)
• Flash point: 277.013°C (Cal.)