3-Hydroxy-15-Oxaestra-1,3,5(10)-Trien-17-One
[CAS# 40715-31-9]

Identification

• Name: 3-Hydroxy-15-Oxaestra-1,3,5(10)-Trien-17-One
• Synonyms: (3As)-7-Hydroxy-11A-Methyl-3B,4,5,9B,10,11-Hexahydro-3Ah-Naphtho[1,2-G]Benzofuran-1-One; 15-Oxaestra-1,3,5(10)-Trien-17-One, 3-Hydroxy-; 15-Oxaestrone
• Molecular Formula: C₁₇H₂₀O₃
• Molecular Weight: 272.34
• CAS Registry Number: 40715-31-9
• SMILES: [C@@H]12OCC(=O)C1(CCC3C2CCC4=C3C=CC(=C4)O)C
• InChI: 1S/C17H20O3/c1-17-7-6-13-12-5-3-11(18)8-10(12)2-4-14(13)16(17)20-9-15(17)19/h3,5,8,13-14,16,18H,2,4,6-7,9H2,1H3/t13?,14?,16-,17?/m0/s1
• InChIKey: FANDDLFIYCQQPS-XRFBTWBJSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 461.139°C at 760 mmHg (Cal.)
• Flash point: 171.877°C (Cal.)