(8R,9S,13S,14S)-3-Hydroxy-1,13-Dimethyl-9,11,12,14,15,16-Hexahydro-8H-Cyclopenta[a]Phenanthren-17-One
[CAS# 3129-08-6]

Identification

• Name: (8R,9S,13S,14S)-3-Hydroxy-1,13-Dimethyl-9,11,12,14,15,16-Hexahydro-8H-Cyclopenta[a]Phenanthren-17-One
• Synonyms: Estra-1,3,5(10),6-Tetraen-17-One, 3-Hydroxy-1-Methyl-; Nsc9782; C15308
• Molecular Formula: C₁₉H₂₂O₂
• Molecular Weight: 282.38
• CAS Registry Number: 3129-08-6
• SMILES: [C@]13(C(=O)CC[C@H]1[C@@H]2C=CC4=C([C@H]2CC3)C(=CC(=C4)O)C)C
• InChI: 1S/C19H22O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h3-4,9-10,14-16,20H,5-8H2,1-2H3/t14-,15+,16+,19+/m1/s1
• InChIKey: KRCRSBUGDLOMGX-DRMAHVMPSA-N

Properties

• Density: 1.168g/cm³ (Cal.)
• Boiling point: 467.118°C at 760 mmHg (Cal.)
• Flash point: 198.692°C (Cal.)