Cicloxolone
[CAS# 52247-86-6]

Identification

• Name: Cicloxolone
• Synonyms: (2R,4As,6Ar,6As,6Br,10S,12As,14Bs)-10-[[(1R,2S)-2-Carboxycyclohexyl]-Oxomethoxy]-2,4A,6A,6B,9,9,12A-Heptamethyl-13-Oxo-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picene-2-Carboxylic Acid; (2R,4As,6Ar,6As,6Br,10S,12As,14Bs)-10-[(1R,2S)-2-Carboxycyclohexanecarbonyl]Oxy-13-Keto-2,4A,6A,6B,9,9,12A-Heptamethyl-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picene-2-Carboxylic Acid; (2R,4As,6Ar,6As,6Br,10S,12As,14Bs)-10-[(1R,2S)-2-Carboxycyclohexyl]Carbonyloxy-2,4A,6A,6B,9,9,12A-Heptamethyl-13-Oxo-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picene-2-Carboxylic Acid
• Molecular Formula: C₃₈H₅₆O₇
• Molecular Weight: 624.86
• CAS Registry Number: 52247-86-6
• SMILES: [C@@H]14[C@]([C@]2(C(=CC1=O)[C@@H]3[C@@](CC2)(CC[C@](C3)(C(=O)O)C)C)C)(CCC6[C@@]4(CC[C@H](OC(=O)[C@H]5[C@@H](C(=O)O)CCCC5)C6(C)C)C)C
• InChI: 1S/C38H56O7/c1-33(2)27-12-15-38(7)29(36(27,5)14-13-28(33)45-31(42)23-11-9-8-10-22(23)30(40)41)26(39)20-24-25-21-35(4,32(43)44)17-16-34(25,3)18-19-37(24,38)6/h20,22-23,25,27-29H,8-19,21H2,1-7H3,(H,40,41)(H,43,44)/t22-,23+,25+,27?,28-,29+,34+,35+,36-,37+,38+/m0/s1
• InChIKey: IPIHZIYZLLMCRF-OLYGVESYSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 720.782°C at 760 mmHg (Cal.)
• Flash point: 216.361°C (Cal.)