[2-[(3S,5R,8R,9S,10S,13S,14S,17R)-3,17-Dihydroxy-10,13-Dimethyl-1,2,3, 4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate
[CAS# 53604-15-2]

Identification

• Name: [2-[(3S,5R,8R,9S,10S,13S,14S,17R)-3,17-Dihydroxy-10,13-Dimethyl-1,2,3, 4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate
• Synonyms: [2-[(3S,5R,8R,9S,10S,13S,14S,17R)-3,17-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(3S,5R,8R,9S,10S,13S,14S,17R)-3,17-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(3S,5R,8R,9S,10S,13S,14S,17R)-3,17-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₃₆O₅
• Molecular Weight: 392.53
• CAS Registry Number: 53604-15-2
• SMILES: [C@]3(CC[C@H]4[C@@H]2CC[C@H]1[C@](CC[C@H](O)C1)([C@H]2CC[C@]34C)C)(C(COC(=O)C)=O)O
• InChI: 1S/C23H36O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h15-19,25,27H,4-13H2,1-3H3/t15-,16+,17-,18+,19+,21+,22+,23+/m1/s1
• InChIKey: HFKAIASGHCYYRR-NJCLLKAFSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 520.938°C at 760 mmHg (Cal.)
• Flash point: 173.063°C (Cal.)