(22E)-Ergosta-5,8,22-Triene-3beta,11-Diol
[CAS# 62005-66-7]

Identification

• Name: (22E)-Ergosta-5,8,22-Triene-3beta,11-Diol
• Synonyms: (3S,10S,13R,14R,17R)-10,13-Dimethyl-17-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-2,3,4,7,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Diol; Ergosta-5,8,22-Triene-3,11-Diol, (3Beta,22E)-; Portensterol
• Molecular Formula: C₂₈H₄₄O₂
• Molecular Weight: 412.65
• CAS Registry Number: 62005-66-7
• SMILES: [C@@H]4(CC[C@]1(C(=CCC2=C1C(C[C@]3([C@H]2CC[C@@H]3[C@@H](\C=C\[C@H](C)C(C)C)C)C)O)C4)C)O
• InChI: 1S/C28H44O2/c1-17(2)18(3)7-8-19(4)23-11-12-24-22-10-9-20-15-21(29)13-14-27(20,5)26(22)25(30)16-28(23,24)6/h7-9,17-19,21,23-25,29-30H,10-16H2,1-6H3/b8-7+/t18-,19+,21-,23+,24-,25?,27-,28+/m0/s1
• InChIKey: RJWIGXOAUROSSK-PQJHTRIRSA-N

Properties

• Density: 1.055g/cm³ (Cal.)
• Boiling point: 534.802°C at 760 mmHg (Cal.)
• Flash point: 223.548°C (Cal.)