5alpha-Ergostane
[CAS# 511-20-6]

Identification

• Name: 5alpha-Ergostane
• Synonyms: (5R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(1R,4S)-1,4,5-Trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene; Ergostane; 5Alpha-Ergostane
• Molecular Formula: C₂₈H₅₀
• Molecular Weight: 386.70
• CAS Registry Number: 511-20-6
• SMILES: [C@H]12CCCC[C@@]1([C@@H]4[C@@H](CC2)[C@@H]3CC[C@H]([C@@H](CC[C@H](C)C(C)C)C)[C@@]3(C)CC4)C
• InChI: 1S/C28H50/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20-,21+,22+,23-,24+,25-,26-,27-,28+/m0/s1
• InChIKey: WAAWMJYYKITCGF-WTPIMUJOSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 450.9±12.0°C at 760 mmHg (Cal.)
• Flash point: 216.5±13.1°C (Cal.)