(16A,17B)-Estra-1,3,5(10)-Triene-2,3,16,17-Tetrol
[CAS# 1232-80-0]

Identification

• Name: (16A,17B)-Estra-1,3,5(10)-Triene-2,3,16,17-Tetrol
• Synonyms: Estra-1,3,5(10)-Triene-2,3,16Alpha,17Beta-Tetrol; 2-Hydroxyestriol
• Molecular Formula: C₁₈H₂₄O₄
• Molecular Weight: 304.39
• CAS Registry Number: 1232-80-0
• SMILES: [C@H]4(O)C(O)C3(C(C1C(C2=C(CC1)C=C(O)C(=C2)O)CC3)C4)C
• InChI: 1S/C18H24O4/c1-18-5-4-10-11(13(18)8-16(21)17(18)22)3-2-9-6-14(19)15(20)7-12(9)10/h6-7,10-11,13,16-17,19-22H,2-5,8H2,1H3/t10?,11?,13?,16-,17?,18?/m1/s1
• InChIKey: ZUGCDOZAVASBQT-ZMVKOKSESA-N

Properties

• Density: 1.335g/cm³ (Cal.)
• Boiling point: 504.557°C at 760 mmHg (Cal.)
• Flash point: 238.42°C (Cal.)