[(1S)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-Acetyloxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethyl] Acetate
[CAS# 1174-69-2]

Identification

• Name: [(1S)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-Acetyloxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethyl] Acetate
• Synonyms: [(1S)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-Acetoxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl] Acetate; Acetic Acid [(1S)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-Acetoxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl] Ester; [(1S)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-Acetyloxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl] Ethanoate
• Molecular Formula: C₂₅H₄₀O₄
• Molecular Weight: 404.59
• CAS Registry Number: 1174-69-2
• EINECS: 214-637-9
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](CC1)[C@]3(C)[C@H](CC2)C[C@@H](CC3)OC(C)=O)CC[C@@H]4[C@@H](OC(C)=O)C
• InChI: 1S/C25H40O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3/t15-,18+,19+,20-,21+,22-,23-,24-,25+/m0/s1
• InChIKey: VDZDKQBSTYNFGG-BNPPXZMESA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 461.807°C at 760 mmHg (Cal.)
• Flash point: 218.473°C (Cal.)