Cinoxolone
[CAS# 31581-02-9]

Identification

• Name: Cinoxolone
• Synonyms: [(E)-2-Phenylvinyl] (2S,4As,6Ar,6Ar,6Bs,8Ar,10S,12As,14Br)-10-Acetoxy-2,4A,6A,6A,6B,9,9,12A-Octamethyl-13-Oxo-1,3,4,5,6,7,8,8A,10,11,12,14B-Dodecahydropicene-2-Carboxylate; (2S,4As,6Ar,6Ar,6Bs,8Ar,10S,12As,14Br)-10-Acetoxy-2,4A,6A,6A,6B,9,9,12A-Octamethyl-13-Oxo-1,3,4,5,6,7,8,8A,10,11,12,14B-Dodecahydropicene-2-Carboxylic Acid [(E)-2-Phenylvinyl] Ester; (2S,4As,6Ar,6Ar,6Bs,8Ar,10S,12As,14Br)-10-Acetoxy-13-Keto-2,4A,6A,6A,6B,9,9,12A-Octamethyl-1,3,4,5,6,7,8,8A,10,11,12,14B-Dodecahydropicene-2-Carboxylic Acid [(E)-2-Phenylvinyl] Ester
• Molecular Formula: C₄₁H₅₆O₅
• Molecular Weight: 628.89
• CAS Registry Number: 31581-02-9
• EINECS: 250-715-9
• SMILES: [C@@]13([C@@](CC[C@@H]2[C@@]1(CC[C@@H](C2(C)C)OC(=O)C)C)([C@]4(C(=CC3=O)[C@H]5[C@@](CC4)(CC[C@@](C5)(C(O\C=C\C6=CC=CC=C6)=O)C)C)C)C)C
• InChI: 1S/C41H56O5/c1-27(42)46-33-16-18-39(7)31(35(33,2)3)15-19-40(8)38(6)23-22-36(4)20-21-37(5,26-30(36)29(38)25-32(43)41(39,40)9)34(44)45-24-17-28-13-11-10-12-14-28/h10-14,17,24-25,30-31,33H,15-16,18-23,26H2,1-9H3/b24-17+/t30-,31-,33-,36+,37-,38+,39-,40-,41+/m0/s1
• InChIKey: LLHKWQVCQJLCRR-FUMGLWPYSA-N

Properties

• Density: 1.128g/cm³ (Cal.)
• Boiling point: 676.917°C at 760 mmHg (Cal.)
• Flash point: 273.434°C (Cal.)