6alpha-Hydroxyestrone
[CAS# 1476-78-4]

Identification

• Name: 6alpha-Hydroxyestrone
• Synonyms: Estra-1,3,5(10)-Trien-17-One, 3,6-Dihydroxy-, (6Alpha)-; Nsc740029; Estra-1,3,5(10)-Trien-3,6-Diol-17-One
• Molecular Formula: C₁₈H₂₂O₃
• Molecular Weight: 286.37
• CAS Registry Number: 1476-78-4
• SMILES: [C@H]24[C@H]1[C@@](C(=O)CC1)(CC[C@@H]2C3=CC=C(O)C=C3C(O)C4)C
• InChI: 1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-16,19-20H,4-7,9H2,1H3/t12-,13-,15+,16?,18+/m1/s1
• InChIKey: HTORTGVWUGQTHQ-QNZOISAHSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 492.085°C at 760 mmHg (Cal.)
• Flash point: 265.504°C (Cal.)