Episterol
[CAS# 474-68-0]

Identification

• Name: Episterol
• Synonyms: (3S,5S,10S,13R,14R,17R)-17-[(1R)-1,5-Dimethyl-4-Methylene-Hexyl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,5S,10S,13R,14R,17R)-17-[(1R)-1,5-Dimethyl-4-Methylenehexyl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,5S,10S,13R,14R,17R)-17-[(1R)-4-Isopropyl-1-Methyl-Pent-4-Enyl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₂₈H₄₆O
• Molecular Weight: 398.67
• CAS Registry Number: 474-68-0
• SMILES: [C@]34([C@H](C2=CC[C@H]1C[C@@H](O)CC[C@@]1(C2CC3)C)CC[C@@H]4[C@@H](CCC(=C)C(C)C)C)C
• InChI: 1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18,20-22,24-26,29H,3,7-9,11-17H2,1-2,4-6H3/t20-,21+,22+,24-,25+,26?,27+,28-/m1/s1
• InChIKey: BTCAEOLDEYPGGE-LPWCLQGBSA-N

Properties

• Density: 0.99g/cm³ (Cal.)
• Boiling point: 489.124°C at 760 mmHg (Cal.)
• Flash point: 213.47°C (Cal.)