Disitosteryl ether
[CAS# 25694-37-5]

Identification

• Name: Disitosteryl ether
• Synonyms: (3S,10R,13R,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethyl-Hexyl]-3-[[(3S,10R,13R,17R)-17-[(1R,4R)-4-Ethyl-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-Yl]Oxy]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene; (3S,10R,13R,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethylhexyl]-3-[[(3S,10R,13R,17R)-17-[(1R,4R)-4-Ethyl-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]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene; (3S,10R,13R,17R)-17-[(2R,5R)-5-Ethyl-6-Methyl-Heptan-2-Yl]-3-[[(3S,10R,13R,17R)-17-[(2R,5R)-5-Ethyl-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene
• Molecular Formula: C₅₈H₉₈O
• Molecular Weight: 811.41
• CAS Registry Number: 25694-37-5
• SMILES: [C@]18([C@H](CCC1C2C([C@@]7(C(=CC2)C[C@@H](O[C@@H]6CC5=CCC4C3[C@@]([C@H](CC3)[C@@H](CC[C@H](C(C)C)CC)C)(CCC4[C@]5(CC6)C)C)CC7)C)CC8)[C@@H](CC[C@H](C(C)C)CC)C)C
• InChI: 1S/C58H98O/c1-13-41(37(3)4)17-15-39(7)49-23-25-51-47-21-19-43-35-45(27-31-55(43,9)53(47)29-33-57(49,51)11)59-46-28-32-56(10)44(36-46)20-22-48-52-26-24-50(58(52,12)34-30-54(48)56)40(8)16-18-42(14-2)38(5)6/h19-20,37-42,45-54H,13-18,21-36H2,1-12H3/t39-,40-,41-,42-,45+,46+,47?,48?,49-,50-,51?,52?,53?,54?,55+,56+,57-,58-/m1/s1
• InChIKey: ANCUQSSTCSIHDZ-YGPXDKEKSA-N

Properties

• Density: 0.987g/cm³ (Cal.)
• Boiling point: 773.887°C at 760 mmHg (Cal.)
• Flash point: 432.475°C (Cal.)