Netagen
[CAS# 62057-27-6]

Identification

• Name: Netagen
• Synonyms: 19-Norpregn-4-En-20-Yn-3-One, 17-Hydroxy-, (17Alpha)-, Mixt. With (17Beta)-Estra-1,3,5(10)-Triene-3,17-Diol; Netagen
• Molecular Formula: C₃₈H₅₀O₄
• Molecular Weight: 570.81
• CAS Registry Number: 62057-27-6
• SMILES: [C@H]34[C@H]2[C@@H]([C@@H]1C(=CC(=O)CC1)CC2)CC[C@@]3(C(O)(CC4)C#C)C.[C@H]67[C@H]5[C@@]([C@@H](O)CC5)(CC[C@@H]6C8=C(CC7)C=C(O)C=C8)C
• InChI: 1S/C20H26O2.C18H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2;1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h1,12,15-18,22H,4-11H2,2H3;3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t15-,16+,17+,18-,19-,20?;14-,15-,16+,17+,18+/m01/s1
• InChIKey: RVXHNBHNODFRPZ-GRYGNJMRSA-N