(3S,8S,9S,10R,13R,14S,17R)-3-[(3-Iodophenyl)Methoxy]-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene
[CAS# 130504-76-6]

Identification

• Name: (3S,8S,9S,10R,13R,14S,17R)-3-[(3-Iodophenyl)Methoxy]-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-3-[(3-Iodophenyl)Methoxy]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene; (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-3-(3-Iodobenzyl)Oxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene; 3-Cibe
• Molecular Formula: C₃₄H₅₁IO
• Molecular Weight: 602.68
• CAS Registry Number: 130504-76-6
• SMILES: [C@H]45[C@H]1[C@@H]([C@@]3(C(=CC1)C[C@@H](OCC2=CC=CC(=C2)I)CC3)C)CC[C@@]4([C@H](CC5)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C34H51IO/c1-23(2)8-6-9-24(3)30-14-15-31-29-13-12-26-21-28(36-22-25-10-7-11-27(35)20-25)16-18-33(26,4)32(29)17-19-34(30,31)5/h7,10-12,20,23-24,28-32H,6,8-9,13-19,21-22H2,1-5H3/t24-,28+,29+,30-,31+,32+,33+,34-/m1/s1
• InChIKey: ZNFYQYCCNLHBML-BNFFSTEWSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 596.516°C at 760 mmHg (Cal.)
• Flash point: 314.562°C (Cal.)