(9R,10R,13R,17R)-17-[(E,2S,5R)-5,6-Dimethylhept-3-En-2-Yl]-10,13-Dimethyl-1,2,9,11,12,15,16,17-Octahydrocyclopenta[a]Phenanthren-3-One
[CAS# 27625-48-5]

Identification

• Name: (9R,10R,13R,17R)-17-[(E,2S,5R)-5,6-Dimethylhept-3-En-2-Yl]-10,13-Dimethyl-1,2,9,11,12,15,16,17-Octahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (9R,10R,13R,17R)-10,13-Dimethyl-17-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-1,2,9,11,12,15,16,17-Octahydrocyclopenta[A]Phenanthren-3-One; Ergosta-4,6,8(14),22-Tetraen-3-One, (22E)-
• Molecular Formula: C₂₈H₄₀O
• Molecular Weight: 392.62
• CAS Registry Number: 27625-48-5
• SMILES: [C@]34(C(=C2[C@@H]([C@]1(CCC(C=C1C=C2)=O)C)CC3)CC[C@@H]4[C@@H](/C=C/[C@@H](C(C)C)C)C)C
• InChI: 1S/C28H40O/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/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1
• InChIKey: OIMXTYUHMBQQJM-HSVWHVBGSA-N

Properties

• Desity: 1.018g/cm³ (Cal.)
• Boiling point: 523.544°C at 760 mmHg (Cal.)
• Flash point: 263.536°C (Cal.)