17-(Acetyloxy)-6-methyl-Pregna-4,6-diene-3,20-dione mixt. with (17alpha)-3-(cyclopentyloxy)-19-norpregna-3,5-dien-20-yn-17-yl acetate
[CAS# 79030-51-6]

Identification

• Name: 17-(Acetyloxy)-6-methyl-Pregna-4,6-diene-3,20-dione mixt. with (17alpha)-3-(cyclopentyloxy)-19-norpregna-3,5-dien-20-yn-17-yl acetate
• Synonyms: [(8R,9S,10R,13S,14S,17R)-17-Acetyl-6,10,13-Trimethyl-3-Oxo-2,8,9,11,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Acetate; [(10R,13S)-3-(Cyclopentoxy)-17-Ethynyl-13-Methyl-2,7,8,9,10,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-6,10,13-Trimethyl-3-Oxo-2,8,9,11,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(10R,13S)-3-(Cyclopentoxy)-17-Ethynyl-13-Methyl-2,7,8,9,10,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-3-Keto-6,10,13-Trimethyl-2,8,9,11,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(10R,13S)-3-(Cyclopentoxy)-17-Ethynyl-13-Methyl-2,7,8,9,10,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₅₁H₆₈O₇
• Molecular Weight: 793.09
• CAS Registry Number: 79030-51-6
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)C(=C2)C)C)CC[C@@]3([C@](OC(=O)C)(CC4)C(=O)C)C.[C@]59(C(OC(=O)C)(CCC5C6C([C@@H]8C(=CC6)C=C(OC7CCCC7)CC8)CC9)C#C)C
• InChI: 1S/C27H36O3.C24H32O4/c1-4-27(30-18(2)28)16-14-25-24-11-9-19-17-21(29-20-7-5-6-8-20)10-12-22(19)23(24)13-15-26(25,27)3;1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h1,9,17,20,22-25H,5-8,10-16H2,2-3H3;12-13,18-20H,6-11H2,1-5H3/t22-,23?,24?,25?,26-,27?;18-,19+,20+,22-,23+,24+/m01/s1
• InChIKey: HUSGPZXFMOMXBK-XZKXXXDOSA-N