1,3,5[10]-Estratriene-3,16alpha,17beta-Triol 3-Carboxymethyl Ether
[CAS# 69260-14-6]

Identification

• Name: 1,3,5[10]-Estratriene-3,16alpha,17beta-Triol 3-Carboxymethyl Ether
• Synonyms: 2-[[(13S,16R,17R)-16,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]Ethanoic Acid; Acetic Acid, (((16Alpha,17Beta)-16,17-Dihydroxyestra-1,3,5(10)-Trien-3-Yl)Oxy)-; E-3-Cme
• Molecular Formula: C₂₀H₂₆O₅
• Molecular Weight: 346.42
• CAS Registry Number: 69260-14-6
• SMILES: [C@H]4(CC3C2CCC1=C(C=CC(=C1)OCC(=O)O)C2CC[C@@]3([C@H]4O)C)O
• InChI: 1S/C20H26O5/c1-20-7-6-14-13-5-3-12(25-10-18(22)23)8-11(13)2-4-15(14)16(20)9-17(21)19(20)24/h3,5,8,14-17,19,21,24H,2,4,6-7,9-10H2,1H3,(H,22,23)/t14?,15?,16?,17-,19+,20+/m1/s1
• InChIKey: SZBWYTRVLQFZGU-NXRPMPOCSA-N

Properties

• Density: 1.301g/cm³ (Cal.)
• Boiling point: 538.059°C at 760 mmHg (Cal.)
• Flash point: 191.09°C (Cal.)