(3beta)-Cholest-5-En-3-Ol 9-Anthracenecarboxylate
[CAS# 2641-40-9]

Identification

• Name: (3beta)-Cholest-5-En-3-Ol 9-Anthracenecarboxylate
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-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] Anthracene-9-Carboxylate; 9-Anthracenecarboxylic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-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; Anthracene-9-Carboxylic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-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
• Molecular Formula: C₄₂H₅₄O₂
• Molecular Weight: 590.89
• CAS Registry Number: 2641-40-9
• SMILES: [C@H]67[C@H]1[C@@H]([C@@]5(C(=CC1)C[C@@H](OC(=O)C2=C4C(=CC3=CC=CC=C23)C=CC=C4)CC5)C)CC[C@@]6([C@H](CC7)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C42H54O2/c1-27(2)11-10-12-28(3)36-19-20-37-35-18-17-31-26-32(21-23-41(31,4)38(35)22-24-42(36,37)5)44-40(43)39-33-15-8-6-13-29(33)25-30-14-7-9-16-34(30)39/h6-9,13-17,25,27-28,32,35-38H,10-12,18-24,26H2,1-5H3/t28-,32+,35+,36-,37+,38+,41+,42-/m1/s1
• InChIKey: FMGWOPYZVAWWNP-SKWQCYOWSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 685.022°C at 760 mmHg (Cal.)
• Flash point: 199.063°C (Cal.)