4-Hydroxyequilenin
[CAS# 81608-60-8]

Identification

• Name: 4-Hydroxyequilenin
• Synonyms: 4-Hydroxyequilenin; Estra-1,3,5,7,9-Pentaen-17-One, 3,4-Dihydroxy-
• Molecular Formula: C₁₈H₁₈O₃
• Molecular Weight: 282.34
• CAS Registry Number: 81608-60-8
• SMILES: [C@H]12[C@@](C(=O)CC1)(CCC3=C4C(=CC=C23)C(=C(O)C=C4)O)C
• InChI: 1S/C18H18O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h2-4,6,14,19,21H,5,7-9H2,1H3/t14-,18-/m0/s1
• InChIKey: MRSWRSDZIPNFCN-KSSFIOAISA-N

Properties

• Density: 1.327g/cm³ (Cal.)
• Boiling point: 514.58°C at 760 mmHg (Cal.)
• Flash point: 279.093°C (Cal.)