5alpha(H),17alpha(H),(20R)-beta-Acetoxyergost-8(14)-Ene
[CAS# 4042-95-9]

Identification

• Name: 5alpha(H),17alpha(H),(20R)-beta-Acetoxyergost-8(14)-Ene
• Synonyms: [10,13-Dimethyl-17-(1,4,5-Trimethylhexyl)-2,3,4,5,6,7,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Acetate; Acetic Acid [10,13-Dimethyl-17-(1,4,5-Trimethylhexyl)-2,3,4,5,6,7,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [17-(5,6-Dimethylheptan-2-Yl)-10,13-Dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₃₀H₅₀O₂
• Molecular Weight: 442.72
• CAS Registry Number: 4042-95-9
• SMILES: C(C(C4C3(C(=C2C(C1(C(CC(OC(C)=O)CC1)CC2)C)CC3)CC4)C)C)CC(C(C)C)C
• InChI: 1S/C30H50O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h19-21,23-24,26,28H,8-18H2,1-7H3
• InChIKey: LALAQRGFSWBMHR-UHFFFAOYSA-N

Properties

• Density: 0.994g/cm³ (Cal.)
• Boiling point: 502.764°C at 760 mmHg (Cal.)
• Flash point: 254.75°C (Cal.)