(6alpha,16beta,17alpha)-17-acetyl-6-methyl-16,24-Cyclo-21-norchol-4-en-3-one mixt. with (17alpha)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
[CAS# 77209-23-5]

Identification

• Name: (6alpha,16beta,17alpha)-17-acetyl-6-methyl-16,24-Cyclo-21-norchol-4-en-3-one mixt. with (17alpha)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
• Synonyms: 6Alpha-Methyl-16Alpha,17Alpha-Cyclohexylpregn-4-En-3,20-Dione; 16,24-Cyclo-21-Norchol-4-En-3-One, 17-Acetyl-6-Methyl-, (6Alpha,16Beta,17Alpha)-, Mixt. With (17Alpha)-3-Methoxy-19-Norpregna-1,3,5(10)-Trien-20-Yn-17-Ol
• Molecular Formula: C₄₇H₆₄O₄
• Molecular Weight: 693.02
• CAS Registry Number: 77209-23-5
• SMILES: [C@H]13[C@@]([C@]2([C@@H](C1)CCCC2)CC(=O)C)(CC[C@H]4[C@H]3C[C@@H](C5=CC(=O)CCC45)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/C26H38O2.C21H26O2/c1-16-12-23-21(20-8-7-19(28)14-22(16)20)9-11-25(3)24(23)13-18-6-4-5-10-26(18,25)15-17(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/h14,16,18,20-21,23-24H,4-13,15H2,1-3H3;1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t16-,18+,20?,21+,23+,24-,25-,26-;17-,18-,19+,20+,21?/m01/s1
• InChIKey: ABYVFHQLUPAYMS-ALAJMMIDSA-N