(8alpha)-3-Hydroxyestra-1,3,5(10)-Trien-17-One
[CAS# 517-06-6]

Identification

• Name: (8alpha)-3-Hydroxyestra-1,3,5(10)-Trien-17-One
• Synonyms: (8S,9S,13S,14S)-3-Hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one; 8α-estra-1,3,5(10)-trien-3-ol-17-one; LMST02010021
• Molecular Formula: C₁₈H₂₂O₂
• Molecular Weight: 270.37
• CAS Registry Number: 517-06-6
• SMILES: C[C@]12CC[C@H]3[C@@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O
• 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-CVYDXHPNSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 445.2±45.0°C at 760 mmHg (Cal.)
• Flash point: 189.7±21.3°C (Cal.)