(3S,9R,10R,13R,17R)-17-[(2R,3E,5R)-5-Ethyl-6-Methylhepta-3,6-Dien-2-Yl]-10,13-Dimethyl-2,3,4,9,11,12,16,17-Octahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 119400-44-1]

Identification

• Name: (3S,9R,10R,13R,17R)-17-[(2R,3E,5R)-5-Ethyl-6-Methylhepta-3,6-Dien-2-Yl]-10,13-Dimethyl-2,3,4,9,11,12,16,17-Octahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,9R,10R,13R,17R)-17-[(1R,2E,4R)-4-Ethyl-1,5-Dimethyl-Hexa-2,5-Dienyl]-10,13-Dimethyl-2,3,4,9,11,12,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,9R,10R,13R,17R)-17-[(1R,2E,4R)-4-Ethyl-1,5-Dimethylhexa-2,5-Dienyl]-10,13-Dimethyl-2,3,4,9,11,12,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,9R,10R,13R,17R)-17-[(2R,3E,5R)-5-Ethyl-6-Methyl-Hepta-3,6-Dien-2-Yl]-10,13-Dimethyl-2,3,4,9,11,12,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₂₉H₄₂O
• Molecular Weight: 406.65
• CAS Registry Number: 119400-44-1
• SMILES: [C@@H]1([C@@H](\C=C\[C@@H](CC)C(=C)C)C)[C@@]4(C(=CC1)C3=CC=C2C[C@H](CC[C@@]2([C@H]3CC4)C)O)C
• InChI: 1S/C29H42O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,13,20-21,23,25,27,30H,2,7,12,14-18H2,1,3-6H3/b9-8+/t20-,21-,23+,25-,27+,28+,29-/m1/s1
• InChIKey: BGVRLHTZYLTSAD-JUIQTESCSA-N

Properties

• Density: 1.023g/cm³ (Cal.)
• Boiling point: 537.463°C at 760 mmHg (Cal.)
• Flash point: 227.609°C (Cal.)