(8R,9S,13S,14S)-17-Ethynyl-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,6,17-Triol
[CAS# 108646-70-4]

Identification

• Name: (8R,9S,13S,14S)-17-Ethynyl-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,6,17-Triol
• Synonyms: 19-Norpregna-1,3,5(10)-Trien-20-Yne-3,6,17-Triol, (17Alpha)-; Ethinyl Estriol; Ethynyl Estriol
• Molecular Formula: C₂₀H₂₄O₃
• Molecular Weight: 312.41
• CAS Registry Number: 108646-70-4
• SMILES: [C@@H]23CC(C1=C(C=CC(=C1)O)[C@H]2CC[C@]4([C@H]3CCC4(C#C)O)C)O
• InChI: 1S/C20H24O3/c1-3-20(23)9-7-17-15-11-18(22)16-10-12(21)4-5-13(16)14(15)6-8-19(17,20)2/h1,4-5,10,14-15,17-18,21-23H,6-9,11H2,2H3/t14-,15-,17+,18?,19+,20?/m1/s1
• InChIKey: XFBUZQAUNLRYCT-RZMBZTBZSA-N