(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R,6R)-6-Methyl-7-Sulfanylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 117768-78-2]

Identification

• Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R,6R)-6-Methyl-7-Sulfanylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,5R)-1,5-Dimethyl-6-Sulfanyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,5R)-6-Mercapto-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,5R)-6-Mercapto-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₂₇H₄₆OS
• Molecular Weight: 418.72
• CAS Registry Number: 117768-78-2
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCC[C@H](CS)C)C)C
• InChI: 1S/C27H46OS/c1-18(17-29)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(28)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: SADAWOFTFFMPGA-YSQMORBQSA-N

Properties

• Density: 1.033g/cm³ (Cal.)
• Boiling point: 523.694°C at 760 mmHg (Cal.)
• Flash point: 270.521°C (Cal.)