[(8R,9S,10R,13S,14R,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl] 4-Pentylcyclohexane-1-Carboxylate
[CAS# 130464-79-8]

Identification

• Name: [(8R,9S,10R,13S,14R,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl] 4-Pentylcyclohexane-1-Carboxylate
• Synonyms: 4-Pentyl-1-Cyclohexanecarboxylic Acid [(8R,9S,10R,13S,14R,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; 4-Amylcyclohexane-1-Carboxylic Acid [(8R,9S,10R,13S,14R,17S)-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Tnpcc
• Molecular Formula: C₃₁H₄₈O₃
• Molecular Weight: 468.72
• CAS Registry Number: 130464-79-8
• SMILES: [C@H]35[C@@H]2[C@@]([C@@H](OC(=O)C1CCC(CC1)CCCCC)CC2)(CC[C@@H]3[C@@]4(C(=CC(=O)CC4)CC5)C)C
• InChI: 1S/C31H48O3/c1-4-5-6-7-21-8-10-22(11-9-21)29(33)34-28-15-14-26-25-13-12-23-20-24(32)16-18-30(23,2)27(25)17-19-31(26,28)3/h20-22,25-28H,4-19H2,1-3H3/t21?,22?,25-,26+,27-,28-,30-,31-/m0/s1
• InChIKey: YEJKQRVAFMEOKN-QPUCLBINSA-N

Properties

• Density: 1.068g/cm³ (Cal.)
• Boiling point: 566.632°C at 760 mmHg (Cal.)
• Flash point: 237.084°C (Cal.)