5alpha-Ergostane-3beta,5,6beta,7beta-Tetrol
[CAS# 80525-48-0]

Identification

• Name: 5alpha-Ergostane-3beta,5,6beta,7beta-Tetrol
• Synonyms: (3S,5R,6R,7R,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(1R,4S)-1,4,5-Trimethylhexyl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-3,5,6,7-Tetrol; Ergostane-3,5,6,7-Tetrol, (3Beta,5Alpha,6Beta,7Beta)-; 5-Eg-To
• Molecular Formula: C₂₈H₅₀O₄
• Molecular Weight: 450.70
• CAS Registry Number: 80525-48-0
• SMILES: [C@@]24([C@@]([C@H]1CC[C@]3([C@H]([C@@H]1[C@H]([C@H]2O)O)CC[C@@H]3[C@@H](CC[C@@H](C(C)C)C)C)C)(CC[C@@H](C4)O)C)O
• InChI: 1S/C28H50O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27,32)25(31)24(23)30/h16-25,29-32H,7-15H2,1-6H3/t17-,18+,19-,20+,21-,22-,23-,24+,25+,26+,27+,28-/m0/s1
• InChIKey: XMPORRMUVWJINB-AQESZVELSA-N

Properties

• Density: 1.103g/cm³ (Cal.)
• Boiling point: 540.263°C at 760 mmHg (Cal.)
• Flash point: 220.518°C (Cal.)