(8alpha)-Estradiol
[CAS# 517-04-4]

Identification

• Name: (8alpha)-Estradiol
• Synonyms: 8-Isoestrone; 8-Alpha-Estra-1,3,5(10)-Triene-3,17-Beta-Diol; 8-Alpha-Estradiol
• Molecular Formula: C₁₈H₂₄O₂
• Molecular Weight: 272.39
• CAS Registry Number: 517-04-4
• SMILES: [C@@H]23C1C([C@@H](O)CC1)(CCC2C4=C(CC3)C=C(O)C=C4)C
• InChI: 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14?,15-,16?,17-,18?/m0/s1
• InChIKey: VOXZDWNPVJITMN-ZZEXBNFBSA-N

Properties

• Density: 1.171g/cm³ (Cal.)
• Boiling point: 445.917°C at 760 mmHg (Cal.)
• Flash point: 209.634°C (Cal.)