(4aS,12aS)-8-Methoxy-12alpha-Methyl-2,3,4,4a,5,6,11,12-Octahydrochrysen-1-One
[CAS# 2384-20-5]

Identification

• Name: (4aS,12aS)-8-Methoxy-12alpha-Methyl-2,3,4,4a,5,6,11,12-Octahydrochrysen-1-One
• Synonyms: Nsc78046; 3-Methoxy-D-Homoestra-1,3,5(10),8-Tetraen-17A-One; C15124
• Molecular Formula: C₂₀H₂₄O₂
• Molecular Weight: 296.41
• CAS Registry Number: 2384-20-5
• SMILES: [C@]12(C(CCC[C@H]1C3=C(CC2)C4=C(CC3)C=C(OC)C=C4)=O)C
• InChI: 1S/C20H24O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h7,9,12,18H,3-6,8,10-11H2,1-2H3/t18-,20-/m0/s1
• InChIKey: CDCUHRTZLOKMFC-ICSRJNTNSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 452.047°C at 760 mmHg (Cal.)
• Flash point: 195.028°C (Cal.)