(8R,9S,10R,13S,14S,17S)-13-Ethyl-17-Ethynyl-17-Hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-3-One
[CAS# 8064-50-4]

Identification

• Name: (8R,9S,10R,13S,14S,17S)-13-Ethyl-17-Ethynyl-17-Hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: Neogynon; Neovletta; Nordiol
• Molecular Formula: C₄₁H₅₂O₄
• Molecular Weight: 608.86
• CAS Registry Number: 8064-50-4
• SMILES: [C@H]34[C@H]2[C@@H]([C@@H]1C(=CC(=O)CC1)CC2)CC[C@@]3([C@@](O)(CC4)C#C)CC.[C@H]78[C@H]5[C@@H](C6=C(CC5)C=C(O)C=C6)CC[C@@]7([C@@](O)(CC8)C#C)C
• InChI: 1S/C21H28O2.C20H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h2,13,16-19,23H,3,5-12H2,1H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17+,18+,19-,20-,21-;16-,17-,18+,19+,20+/m01/s1
• InChIKey: ORKBYCQJWQBPFG-WOMZHKBXSA-N