(3R,3aR,5aS)-6-Butyl-3a,6-Dimethyl-3-(6-Methylheptan-2-Yl)-2,3,4,5,5a,7,8,9,9a,9b-Decahydro-1H-Cyclopenta[h]Naphthalene
[CAS# 32854-50-5]

Identification

• Name: (3R,3aR,5aS)-6-Butyl-3a,6-Dimethyl-3-(6-Methylheptan-2-Yl)-2,3,4,5,5a,7,8,9,9a,9b-Decahydro-1H-Cyclopenta[h]Naphthalene
• Synonyms: (3R,3Ar,5As)-6-Butyl-3-(1,5-Dimethylhexyl)-3A,6-Dimethyl-2,3,4,5,5A,7,8,9,9A,9B-Decahydro-1H-Cyclopenta[H]Naphthalene; 4,5-Secocholestane
• Molecular Formula: C₂₇H₅₀
• Molecular Weight: 374.69
• CAS Registry Number: 32854-50-5
• SMILES: [C@]23(C(C1[C@@H](C(CCC1)(CCCC)C)CC2)CC[C@@H]3C(CCCC(C)C)C)C
• InChI: 1S/C27H50/c1-7-8-17-26(5)18-10-13-22-24(26)16-19-27(6)23(14-15-25(22)27)21(4)12-9-11-20(2)3/h20-25H,7-19H2,1-6H3/t21?,22?,23-,24+,25?,26?,27-/m1/s1
• InChIKey: JVEXQSVXUSNXKX-SCZNZVATSA-N

Properties

• Density: 0.868g/cm³ (Cal.)
• Boiling point: 436.699°C at 760 mmHg (Cal.)
• Flash point: 210.201°C (Cal.)