(3S,8S,9S,10S,13R,14S,17R)-13-Methyl-17-[(2R)-6-Methylheptan-2-Yl]-10-(Methylselanylmethyl)-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 58257-95-7]

Identification

• Name: (3S,8S,9S,10S,13R,14S,17R)-13-Methyl-17-[(2R)-6-Methylheptan-2-Yl]-10-(Methylselanylmethyl)-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-13-Methyl-10-(Methylselanylmethyl)-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-13-Methyl-10-[(Methylseleno)Methyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; Cholest-5-En-3-Ol, 19-(Methylseleno)-, (3Beta)-
• Molecular Formula: C₂₈H₄₈OSe
• Molecular Weight: 479.65
• CAS Registry Number: 58257-95-7
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C[Se]C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C28H48OSe/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(29)13-16-28(21,18-30-5)26(23)14-15-27(24,25)4/h9,19-20,22-26,29H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-/m1/s1
• InChIKey: FRGQAIOSZCWJMG-TURLQYGPSA-N

Properties

• Boiling point: 540.354°C at 760 mmHg (Cal.)
• Flash point: 280.596°C (Cal.)