(16beta,17alpha)-17-Acetyl-6-Methyl-16,24-Cyclo-21-Norchola-4,6-Dien-3-One Mixt. With (17alpha)-3-Methoxy-19-Norpregna-1,3,5(10)-Trien-20-Yn-17-Ol
[CAS# 77145-92-7]

Identification

• Name: (16beta,17alpha)-17-Acetyl-6-Methyl-16,24-Cyclo-21-Norchola-4,6-Dien-3-One Mixt. With (17alpha)-3-Methoxy-19-Norpregna-1,3,5(10)-Trien-20-Yn-17-Ol
• Synonyms: 6-Mcpdd; 6-Methyl-16Alpha,17Alpha-Cyclohexylpregna-4,6-Dien-3,20-Dione
• Molecular Formula: C₄₇H₆₂O₄
• Molecular Weight: 691.00
• CAS Registry Number: 77145-92-7
• SMILES: [C@H]13[C@@]([C@@]2([C@@H](C1)CCCC2)C(=O)C)(CC[C@H]4[C@H]3C=C(C5=CC(=O)CC[C@]45C)C)C.[C@H]89[C@H]6[C@@H](C7=C(CC6)C=C(OC)C=C7)CC[C@@]8(C(O)(CC9)C#C)C
• InChI: 1S/C26H36O2.C21H26O2/c1-16-13-20-21(24(3)11-8-19(28)15-22(16)24)9-12-25(4)23(20)14-18-7-5-6-10-26(18,25)17(2)27;1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h13,15,18,20-21,23H,5-12,14H2,1-4H3;1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t18-,20-,21+,23+,24-,25+,26-;17-,18-,19+,20+,21?/m11/s1
• InChIKey: FLAZWVDBJRUOAH-XBTXHGATSA-N