(8R,9S,10R,13R,14S,17R)-17-[(1S)-1,5-Dimethyl-4-Methylene-Hexyl]-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
[CAS# 55688-44-3]

Identification

• Name: (8R,9S,10R,13R,14S,17R)-17-[(1S)-1,5-Dimethyl-4-Methylene-Hexyl]-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: ERGSTA-4,24(28)-DIEN-3-ONE
• Molecular Formula: C₂₈H₄₄O
• Molecular Weight: 396.65
• CAS Registry Number: 55688-44-3
• SMILES: C[C@@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@@H]2CCC4=CC(=O)CC[C@]34C)C
• InChI: 1S/C28H44O/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/h17-18,20,23-26H,3,7-16H2,1-2,4-6H3/t20-,23+,24+,25-,26-,27-,28+/m0/s1
• InChIKey: JRMPVNVOLQJLJX-AWYZUKNCSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 492.4±12.0°C at 760 mmHg (Cal.)
• Flash point: 254.1±10.4°C (Cal.)