Estra-1,3,5(10),7-Tetraene-3,17alpha-Diol Diacetate
[CAS# 61786-04-7]

Identification

• Name: Estra-1,3,5(10),7-Tetraene-3,17alpha-Diol Diacetate
• Synonyms: [(9S,13S,14S,17R)-3-Acetoxy-13-Methyl-6,9,11,12,14,15,16,17-Octahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(9S,13S,14S,17R)-3-Acetoxy-13-Methyl-6,9,11,12,14,15,16,17-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(9S,13S,14S,17R)-3-Acetyloxy-13-Methyl-6,9,11,12,14,15,16,17-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₂H₂₆O₄
• Molecular Weight: 354.45
• CAS Registry Number: 61786-04-7
• EINECS: 262-966-1
• SMILES: [C@H]12[C@@]([C@H](OC(=O)C)CC1)(CC[C@H]3C2=CCC4=C3C=CC(=C4)OC(=O)C)C
• InChI: 1S/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5-7,12,18,20-21H,4,8-11H2,1-3H3/t18-,20+,21-,22+/m1/s1
• InChIKey: ZAGLOMJROUNZHS-ZDFPQIBNSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 471.553°C at 760 mmHg (Cal.)
• Flash point: 233.23°C (Cal.)