(8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-1,2,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-One
[CAS 516-77-8]

Identification

• Name: (8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-1,2,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: Ergosta-4,6,22-trien-3-one, (22E)-
• Molecular Formula: C₂₈H₄₂O
• Molecular Weight: 394.63
• CAS Registry Number: 516-77-8
• SMILES: O=C4\C=C3\C=C/[C@@H]1[C@H](CC[C@@]2([C@H](CC[C@@H]12)[C@@H](/C=C/[C@H](C)C(C)C)C)C)[C@@]3(C)CC4
• InChI: 1S/C28H42O/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/h7-10,17-20,23-26H,11-16H2,1-6H3/b8-7+/t19-,20+,23-,24+,25-,26-,27-,28+/m0/s1
• InChIKey: LJNASASDNLCNOS-ADBSWBDJSA-N

Properties

• Density: 1.002g/cm³ (Cal.)
• Boiling point: 501.8°C at 760 mmHg (Cal.)
• Flash point: 256.495°C (Cal.)