Deloxolone
[CAS# 68635-50-7]

Identification

• Name: Deloxolone
• Synonyms: (2S,4As,6Ar,6Bs,8Ar,10S,12As,14Ar,14Bs)-10-(4-Hydroxy-4-Oxo-Butanoyl)Oxy-2,4A,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,7,8,8A,10,11,12,14,14A,14B-Tetradecahydropicene-2-Carboxylic Acid; (2S,4As,6Ar,6Bs,8Ar,10S,12As,14Ar,14Bs)-10-(4-Hydroxy-1,4-Dioxobutoxy)-2,4A,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,7,8,8A,10,11,12,14,14A,14B-Tetradecahydropicene-2-Carboxylic Acid; (2S,4As,6Ar,6Bs,8Ar,10S,12As,14Ar,14Bs)-10-(4-Hydroxy-4-Keto-Butanoyl)Oxy-2,4A,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,7,8,8A,10,11,12,14,14A,14B-Tetradecahydropicene-2-Carboxylic Acid
• Molecular Formula: C₃₄H₅₂O₆
• Molecular Weight: 556.78
• CAS Registry Number: 68635-50-7
• SMILES: [C@@]35([C@]2([C@@H]([C@H]1[C@@](CC[C@@](C1)(C(O)=O)C)(C)CC2)CC=C3[C@@]4([C@H](C([C@@H](OC(CCC(O)=O)=O)CC4)(C)C)CC5)C)C)C
• InChI: 1S/C34H52O6/c1-29(2)23-12-15-34(7)24(32(23,5)14-13-25(29)40-27(37)11-10-26(35)36)9-8-21-22-20-31(4,28(38)39)17-16-30(22,3)18-19-33(21,34)6/h9,21-23,25H,8,10-20H2,1-7H3,(H,35,36)(H,38,39)/t21-,22+,23+,25+,30-,31+,32+,33-,34-/m1/s1
• InChIKey: VRFVGZRKFFTPCG-KYHPDETOSA-N

Properties

• Density: 1.163g/cm³ (Cal.)
• Boiling point: 653.088°C at 760 mmHg (Cal.)
• Flash point: 198.871°C (Cal.)