[(7R,13S)-1-Acetyl-17-Ethynyl-17-Hydroxy-7,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-3-Yl] Acetate
[CAS# 74178-54-4]

Identification

• Name: [(7R,13S)-1-Acetyl-17-Ethynyl-17-Hydroxy-7,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-3-Yl] Acetate
• Synonyms: Acetic Acid [(7R,13S)-1-Acetyl-17-Ethynyl-17-Hydroxy-7,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(7R,13S)-1-Ethanoyl-17-Ethynyl-17-Hydroxy-7,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl] Ethanoate; Daemet-17,3-Ol
• Molecular Formula: C₂₅H₃₀O₄
• Molecular Weight: 394.51
• CAS Registry Number: 74178-54-4
• SMILES: [C@]34(C(C1C(C2=C(C[C@H]1C)C=C(OC(=O)C)C=C2C(=O)C)CC3)CCC4(O)C#C)C
• InChI: 1S/C25H30O4/c1-6-25(28)10-8-21-22-14(2)11-17-12-18(29-16(4)27)13-20(15(3)26)23(17)19(22)7-9-24(21,25)5/h1,12-14,19,21-22,28H,7-11H2,2-5H3/t14-,19?,21?,22?,24+,25?/m1/s1
• InChIKey: IVBUDCKHPHDZSA-ULLMVNOGSA-N