(2R,3S,4S,5S,6R)-2-[6-[[(3S,10R,13R,17R)-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]Phenanthren-3-Yl]Oxy]Hexylsulfanyl]-6-(Hydroxymethyl)Oxane-3,4,5-Triol
[CAS# 73294-91-4]

Identification

• Name: (2R,3S,4S,5S,6R)-2-[6-[[(3S,10R,13R,17R)-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]Phenanthren-3-Yl]Oxy]Hexylsulfanyl]-6-(Hydroxymethyl)Oxane-3,4,5-Triol
• Synonyms: (2R,3S,4S,5S,6R)-2-[6-[[(3S,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Hexylsulfanyl]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3S,4S,5S,6R)-2-[6-[[(3S,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Hexylthio]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3S,4S,5S,6R)-2-[6-[[(3S,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Hexylthio]-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₃₉H₆₈O₆S
• Molecular Weight: 665.02
• CAS Registry Number: 73294-91-4
• SMILES: [C@]15([C@H](CCC1C2C([C@@]4(C(=CC2)C[C@@H](OCCCCCCS[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO)CC4)C)CC5)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C39H68O6S/c1-25(2)11-10-12-26(3)30-15-16-31-29-14-13-27-23-28(17-19-38(27,4)32(29)18-20-39(30,31)5)44-21-8-6-7-9-22-46-37-36(43)35(42)34(41)33(24-40)45-37/h13,25-26,28-37,40-43H,6-12,14-24H2,1-5H3/t26-,28+,29?,30-,31?,32?,33-,34-,35+,36+,37-,38+,39-/m1/s1
• InChIKey: CGPHGTBLEBJCCB-QADKVGKLSA-N

Properties

• Density: 1.135g/cm³ (Cal.)
• Boiling point: 750.842°C at 760 mmHg (Cal.)
• Flash point: 407.895°C (Cal.)