(8R,9S,13S,14S,16S,17S)-3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-16-Carbaldehyde
[CAS# 150585-08-3]

Identification

• Name: (8R,9S,13S,14S,16S,17S)-3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-16-Carbaldehyde
• Synonyms: (8R,9S,13S,14S,16S,17S)-3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-16-Carboxaldehyde; 16-Formylestradiol
• Molecular Formula: C₁₉H₂₄O₃
• Molecular Weight: 300.40
• CAS Registry Number: 150585-08-3
• SMILES: [C@@H]23CCC1=C(C=CC(=C1)O)[C@H]2CC[C@]4([C@H]3C[C@@H]([C@@H]4O)C=O)C
• InChI: 1S/C19H24O3/c1-19-7-6-15-14-5-3-13(21)8-11(14)2-4-16(15)17(19)9-12(10-20)18(19)22/h3,5,8,10,12,15-18,21-22H,2,4,6-7,9H2,1H3/t12-,15-,16-,17+,18+,19+/m1/s1
• InChIKey: GQRLRYVNRMCWPQ-IEQBIMPXSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 490.789°C at 760 mmHg (Cal.)
• Flash point: 264.721°C (Cal.)