(8S,9S,11S,13S,14S,16R,17R)-16-Iodo-11-Methoxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,17-Diol
[CAS# 104842-16-2]

Identification

• Name: (8S,9S,11S,13S,14S,16R,17R)-16-Iodo-11-Methoxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,17-Diol
• Synonyms: 11-Me(2); 11-Methoxy-16-Iodoestradiol; 11Beta-Methoxy-16Alpha-123-I-Iodoestradiol
• Molecular Formula: C₁₉H₂₅IO₃
• Molecular Weight: 428.31
• CAS Registry Number: 104842-16-2
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](C[C@@H]3OC)([C@H]([C@@H](C4)I)O)C)O
• InChI: 1S/C19H25IO3/c1-19-9-16(23-2)17-12-6-4-11(21)7-10(12)3-5-13(17)14(19)8-15(20)18(19)22/h4,6-7,13-18,21-22H,3,5,8-9H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-/m0/s1
• InChIKey: ZKXIUQUNJAKYCW-RUOITVIXSA-N

Properties

• Density: 1.582g/cm³ (Cal.)
• Boiling point: 527.305°C at 760 mmHg (Cal.)
• Flash point: 272.704°C (Cal.)