(3beta,17beta)-17-[(2R,3E,5R)-5,6-Dimethyl-3-Hepten-2-Yl]Estra-5(10),6,8-Trien-3-Ol
[CAS# 516-98-3]

Identification

• Name: (3beta,17beta)-17-[(2R,3E,5R)-5,6-Dimethyl-3-Hepten-2-Yl]Estra-5(10),6,8-Trien-3-Ol
• Molecular Formula: C₂₇H₄₀O
• Molecular Weight: 380.61
• CAS Registry Number: 516-98-3
• SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2C=CC4=C3CC[C@@H](C4)O)C
• InChI: 1S/C27H40O/c1-17(2)18(3)6-7-19(4)25-12-13-26-24-10-8-20-16-21(28)9-11-22(20)23(24)14-15-27(25,26)5/h6-8,10,17-19,21,25-26,28H,9,11-16H2,1-5H3/b7-6+/t18-,19+,21-,25+,26-,27+/m0/s1
• InChIKey: MNMJPUHGVUDRCV-DOOCTISASA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 494.4±34.0°C at 760 mmHg (Cal.)
• Flash point: 210.9±17.9°C (Cal.)