beta-Estradiol 3-Carboxymethyl Ether
[CAS# 41164-36-7]

Identification

• Name: beta-Estradiol 3-Carboxymethyl Ether
• Synonyms: 2-[[(8R,9S,13S,14S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]Ethanoic Acid; ((17Beta-Hydroxyestra-1,3,5(10)-Trien-3-Yl)Oxy)Acetic Acid; Acetic Acid, (((17Beta)-17-Hydroxyestra-1,3,5(10)-Trien-3-Yl)Oxy)-
• Molecular Formula: C₂₀H₂₆O₄
• Molecular Weight: 330.42
• CAS Registry Number: 41164-36-7
• SMILES: [C@@]14(C)[C@H]([C@H]3[C@H](CC1)C2=CC=C(C=C2CC3)OCC(=O)O)CC[C@@H]4O
• InChI: 1S/C20H26O4/c1-20-9-8-15-14-5-3-13(24-11-19(22)23)10-12(14)2-4-16(15)17(20)6-7-18(20)21/h3,5,10,15-18,21H,2,4,6-9,11H2,1H3,(H,22,23)/t15-,16-,17+,18+,20+/m1/s1
• InChIKey: DFDLVUUNTZHQBI-JGLNRKDHSA-N

Properties

• Density: 1.227g/cm³ (Cal.)
• Boiling point: 516.536°C at 760 mmHg (Cal.)
• Flash point: 183.591°C (Cal.)