3-Methoxy-1,3,5(10)-Gonatrien-17-One
[CAS# 4147-10-8]

Identification

• Name: 3-Methoxy-1,3,5(10)-Gonatrien-17-One
• Synonyms: 18,19-Dinorandrosta-1,3,5(10)-Trien-17-One, 3-Methoxy-; 3-Methoxygona-1,3,5(10)-Trien-17-One
• Molecular Formula: C₁₈H₂₂O₂
• Molecular Weight: 270.37
• CAS Registry Number: 4147-10-8
• SMILES: [C@@H]13CCC(=O)C1CC[C@@H]4C2=C(C=C(C=C2)OC)CC[C@@H]34
• InChI: 1S/C18H22O2/c1-20-12-3-5-13-11(10-12)2-4-15-14(13)6-7-17-16(15)8-9-18(17)19/h3,5,10,14-17H,2,4,6-9H2,1H3/t14-,15-,16+,17?/m1/s1
• InChIKey: GDDDQTOBTQTTJD-VPSFDDGASA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 429.551°C at 760 mmHg (Cal.)
• Flash point: 191.028°C (Cal.)