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Calcitriol Impurity 45

CAT: 1299-RM-C081345-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C081345-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144848-24-8
Synonyms
(1R,3aR,7aR) -7a-methyl-1- ((R) -6-methyl-6- ((triethylsilyl) oxy) heptan-2-yl) octahydro-4H-inden-4-one
Molecular Formula
C24H46O2Si
Molecular Weight
394.72
Target Alternative Name
Calcitriol
Product Name Synonym
(1R,3aR,7aR) -7a-methyl-1- ((R) -6-methyl-6- ((triethylsilyl) oxy) heptan-2-yl) octahydro-4H-inden-4-one

Chemical Information

Eldecalcitol Intermediate CD
CAS Number144848-24-8
PubChem CID11058343
IUPAC Name(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
Molecular FormulaC24H46O2Si
Molecular Weight394.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity488
SMILES
CC[Si](CC)(CC)OC(C)(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=O)C
InChI
InChI=1S/C24H46O2Si/c1-8-27(9-2,10-3)26-23(5,6)17-11-13-19(4)20-15-16-21-22(25)14-12-18-24(20,21)7/h19-21H,8-18H2,1-7H3/t19-,20-,21+,24-/m1/s1
InChIKey
SSBPDZGZFAVZPC-IUBSTNSRSA-N
Chemical Structure
2D Structure
2D structure of Eldecalcitol Intermediate CD
CAS: 144848-24-8
CID: 11058343
Formula: C24H46O2Si
MW: 394.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass394.32670724
Monoisotopic Mass394.32670724
Topological Polar Surface Area26.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity488
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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