[2-[(3S,10S,13R,14R,17S)-3-Acetyloxy-10,13-Dimethyl-2,3,4,12,14,15,16, 17-Octahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate
[CAS# 7252-92-8]

Identification

• Name: [2-[(3S,10S,13R,14R,17S)-3-Acetyloxy-10,13-Dimethyl-2,3,4,12,14,15,16, 17-Octahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate
• Synonyms: [(3S,10S,13S,14R,17S)-17-(2-Acetoxyacetyl)-10,13-Dimethyl-2,3,4,12,14,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Acetate; Acetic Acid [(3S,10S,13S,14R,17S)-17-(2-Acetoxy-1-Oxoethyl)-10,13-Dimethyl-2,3,4,12,14,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(3S,10S,13S,14R,17S)-17-(2-Acetoxyacetyl)-10,13-Dimethyl-2,3,4,12,14,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₂₅H₃₂O₅
• Molecular Weight: 412.52
• CAS Registry Number: 7252-92-8
• SMILES: [C@@H]4(C(COC(C)=O)=O)[C@]3(CC=C1C(=CC=C2C[C@H](CC[C@]12C)OC(=O)C)[C@@H]3CC4)C
• InChI: 1S/C25H32O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5-6,10,18,20,22H,7-9,11-14H2,1-4H3/t18-,20-,22+,24-,25-/m0/s1
• InChIKey: VFSIJASPRGEZJU-PZLPAFFHSA-N

Properties

• Density: 1.184g/cm³ (Cal.)
• Boiling point: 545.813°C at 760 mmHg (Cal.)
• Flash point: 234.591°C (Cal.)