3-Hydroxy-Estra-1,3,5(10),6-tetraen-17-one
[CAS# 2208-12-0]

Identification

• Name: 3-Hydroxy-Estra-1,3,5(10),6-tetraen-17-one
• Synonyms: 1,3,5(10),6-Estratetraen-3Beta-Ol-17-One; .Delta.6,7-Estrone; .Delta.6-Estrone
• Molecular Formula: C₁₈H₂₀O₂
• Molecular Weight: 268.35
• CAS Registry Number: 2208-12-0
• SMILES: [C@H]34[C@H]2[C@@H](C1=C(C=C(O)C=C1)C=C2)CC[C@@]3(C(=O)CC4)C
• InChI: 1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-16,19H,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
• InChIKey: WTRRIQCGCGCMQA-CBZIJGRNSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 454.714°C at 760 mmHg (Cal.)
• Flash point: 193.638°C (Cal.)