Cholesta-5,7-Diene-1alpha,3beta-Diyl Diacetate
[CAS# 41461-10-3]

Identification

• Name: Cholesta-5,7-Diene-1alpha,3beta-Diyl Diacetate
• Synonyms: [(1S,3R,9S,10R,13R,14R,17R)-3-Acetoxy-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-1-Yl] Acetate; Acetic Acid [(1S,3R,9S,10R,13R,14R,17R)-3-Acetoxy-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-1-Yl] Ester; [(1S,3R,9S,10R,13R,14R,17R)-3-Acetyloxy-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-1-Yl] Ethanoate
• Molecular Formula: C₃₁H₄₈O₄
• Molecular Weight: 484.72
• CAS Registry Number: 41461-10-3
• EINECS: 255-382-3
• SMILES: [C@H]12[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@H]3C2=CC=C4[C@@]3([C@@H](OC(=O)C)C[C@H](OC(=O)C)C4)C)C
• InChI: 1S/C31H48O4/c1-19(2)9-8-10-20(3)26-13-14-27-25-12-11-23-17-24(34-21(4)32)18-29(35-22(5)33)31(23,7)28(25)15-16-30(26,27)6/h11-12,19-20,24,26-29H,8-10,13-18H2,1-7H3/t20-,24-,26-,27+,28+,29+,30-,31+/m1/s1
• InChIKey: ZJSVLATWWDIYJS-LNNOUWJJSA-N

Properties

• Density: 1.06g/cm³ (Cal.)
• Boiling point: 547.784°C at 760 mmHg (Cal.)
• Flash point: 262.183°C (Cal.)