(3beta)-Stigmast-5-En-3-Yl Benzoate
[CAS# 1900-52-3]

Identification

• Name: (3beta)-Stigmast-5-En-3-Yl Benzoate
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Benzoate; Benzoic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Benzoic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₃₆H₅₄O₂
• Molecular Weight: 518.82
• CAS Registry Number: 1900-52-3
• EINECS: 217-597-0
• SMILES: [C@H]45[C@H]1[C@@H]([C@@]3(C(=CC1)C[C@@H](OC(=O)C2=CC=CC=C2)CC3)C)CC[C@@]4([C@H](CC5)[C@@H](CC[C@H](C(C)C)CC)C)C
• InChI: 1S/C36H54O2/c1-7-26(24(2)3)14-13-25(4)31-17-18-32-30-16-15-28-23-29(38-34(37)27-11-9-8-10-12-27)19-21-35(28,5)33(30)20-22-36(31,32)6/h8-12,15,24-26,29-33H,7,13-14,16-23H2,1-6H3/t25-,26-,29+,30+,31-,32+,33+,35+,36-/m1/s1
• InChIKey: WFQRUMHMFCGSRO-XKKOIZAZSA-N

Properties

• Density: 1.029g/cm³ (Cal.)
• Boiling point: 582.488°C at 760 mmHg (Cal.)
• Flash point: 260.405°C (Cal.)