Locasalen
[CAS# 57973-63-4]

Identification

• Name: Locasalen
• Synonyms: [2-[(6S,8S,10S,11S,13S,14S,16R,17R)-6,9-Difluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] 2,2-Dimethylpropanoate; 2-Hydroxybenzoic Acid; 2,2-Dimethylpropanoic Acid [2-[(6S,8S,10S,11S,13S,14S,16R,17R)-6,9-Difluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; 2-Hydroxybenzoic Acid; 2,2-Dimethylpropionic Acid [2-[(6S,8S,10S,11S,13S,14S,16R,17R)-6,9-Difluoro-11,17-Dihydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester; Salicylic Acid
• Molecular Formula: C₃₄H₄₂F₂O₉
• Molecular Weight: 632.70
• CAS Registry Number: 57973-63-4
• SMILES: [C@H]34[C@H]2C(F)([C@@]1(C(=CC(=O)C=C1)[C@@H](F)C2)C)[C@@H](O)C[C@@]3([C@](O)([C@@H](C4)C)C(=O)COC(=O)C(C)(C)C)C.C5=C(C(=CC=C5)O)C(=O)O
• InChI: 1S/C27H36F2O6.C7H6O3/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4;8-6-4-2-1-3-5(6)7(9)10/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3;1-4,8H,(H,9,10)/t14-,16+,17+,19+,20+,24+,25+,26?,27+;/m1./s1
• InChIKey: KSTPLQAJWSYHTP-SAPBVRDASA-N

Properties

• Boiling point: 600.3°C at 760 mmHg (Cal.)
• Flash point: 316.8°C (Cal.)