Synonym: (17α)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol; 17α-Ethynyl-1,3,5(10)-estratriene-3,17β-diol 3-methyl ether; 17α-Ethynylestradiol 3-methyl ether; 3-Methoxy-17α-ethynylestradiol; NSC 84032
CAS Number: 72-33-3
Empirical Formula (Hill Notation): C21H26O2
Molecular Weight: 310.43
EC Number: 200-777-8
MDL Number: MFCD00003689
Linear Formula: C21H26O2
Product Type: Chemical
assay |
99% |
form |
solid |
InChI |
1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1 |
InChI key |
IMSSROKUHAOUJS-MJCUULBUSA-N |
mp |
153-155 °C (lit.) |
optical activity |
[α]15/D +3°, c = 2 in dioxane |
Quality Level |
100 |
SMILES string |
COc1ccc2C3CC[C@@]4(C)C(CC[C@@]4(O)C#C)C3CCc2c1 |
Packaging: |
500 mg in amber glass bottle |
Purity |
99% |
mp |
153-155 °C (lit.) |
UNSPSC |
12352112 |