3-Methoxy-16,16-Dimethyl-1,3,5(10)-Estratrien-17-One
[CAS# 54793-02-1]

Identification

• Name: 3-Methoxy-16,16-Dimethyl-1,3,5(10)-Estratrien-17-One
• Synonyms: Nsc92332
• Molecular Formula: C₂₁H₂₈O₂
• Molecular Weight: 312.45
• CAS Registry Number: 54793-02-1
• SMILES: [C@]12(C(=O)C(C[C@H]1[C@H]3[C@H](CC2)C4=C(CC3)C=C(C=C4)OC)(C)C)C
• InChI: 1S/C21H28O2/c1-20(2)12-18-17-7-5-13-11-14(23-4)6-8-15(13)16(17)9-10-21(18,3)19(20)22/h6,8,11,16-18H,5,7,9-10,12H2,1-4H3/t16-,17-,18+,21+/m1/s1
• InChIKey: JNQVQWBUEKUMDX-WIRSXHRWSA-N

Properties

• Density: 1.055g/cm³ (Cal.)
• Boiling point: 434.938°C at 760 mmHg (Cal.)
• Flash point: 176.362°C (Cal.)