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1H-Indene,4-[(2E)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-,(1R,3aS,4E,7aR)- (111594-58-2)

Identification
Name:1H-Indene,4-[(2E)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-,(1R,3aS,4E,7aR)-
Synonyms:Silane,[[(1a,3b,5E,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl-(9CI);
CAS:111594-58-2
Molecular Formula: C40H72 O2 Si2
Molecular Weight: 641.17
InChI: InChI=1/C40H72O2Si2/c1-28(2)29(3)19-20-30(4)35-23-24-36-32(18-17-25-40(35,36)12)21-22-33-26-34(41-43(13,14)38(6,7)8)27-37(31(33)5)42-44(15,16)39(9,10)11/h19-22,28-30,34-37H,5,17-18,23-27H2,1-4,6-16H3/b20-19+,32-21+,33-22+/t29-,30+,34+,35+,36-,37-,40+/m0/s1
Molecular Structure: (C40H72O2Si2) Silane,[[(1a,3b,5E,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimeth...
Properties
Flash Point: 273.96°C
Boiling Point: 605.861°C at 760 mmHg
Density:0.93
Refractive index:1.497
Specification:

     [[(1a,3b,5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane] , has the CAS registry number of 111594-58-2. And it is also known as Silane,[[(1a,3b,5E,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl-(9CI) .

     As the intermediate of doxercalciferol, it is a kind of white acicular crystal. It has been used in compounding various chemicals, such as compound doxercalciferol, Calcipotriol and calcitriol, etc. The storage method is to preserve it by sealing it airtight in the low temperature.

     You could convert it into the chemical structure by using the following chainings:
     SMILES:
O([Si](C(C)(C)C)(C)C)[C@@H]1CC(\C(=C)[C@@H](O[Si](C(C)(C)C)(C)C)C1)=C/C=C2\CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C)C(C)C)C)C
     InChI:
InChI=1/C40H72O2Si2/c1-28(2)29(3)19-20-30(4)35-23-24-36-32(18-17-25-40(35,36)12)21-22-33-26-34(41-43(13,14)38(6,7)8)27-37(31(33)5)42-44(15,16)39(9,10)11/h19-22,28-30,34-37H,5,17-18,23-27H2,1-4,6-16H3/b20-19+,32-21+,33-22+/t29-,30+,34+,35+,36-,37-,40+/m0/s1

Flash Point: 273.96°C
Safety Data
 

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