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Prostaglandin Impurity 42

CAT: 1299-RM-P151504-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P151504-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149585-88-6
Synonyms
(3aR,4R,5R,6aS) -5- ((tert-butyldimethylsilyl) oxy) -4- ((3S,5S, E) -3- ((tert-butyldimethylsilyl) oxy) -5-methylnon-1-en-1-yl) hexahydro-2H-cyclopenta[b]furan-2-one
Molecular Formula
C29H56O4Si2
Molecular Weight
524.93
Target Alternative Name
Prostaglandin
Product Name Synonym
(3aR,4R,5R,6aS) -5- ((tert-butyldimethylsilyl) oxy) -4- ((3S,5S, E) -3- ((tert-butyldimethylsilyl) oxy) -5-methylnon-1-en-1-yl) hexahydro-2H-cyclopenta[b]furan-2-one

Chemical Information

(3aS,4S,5S,6aR)-5-((tert-Butyldimethylsilyl)oxy)-4-((3S,E)-3-((tert-butyldimethylsilyl)oxy)-5-methylnon-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one
CAS Number149585-88-6
PubChem CID127264473
IUPAC Name(3aS,4S,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
Molecular FormulaC29H56O4Si2
Molecular Weight524.9
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count35
Formal Charge0
Complexity732
SMILES
CCCCC(C)C[C@@H](/C=C/[C@@H]1[C@H](C[C@@H]2[C@H]1CC(=O)O2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C29H56O4Si2/c1-13-14-15-21(2)18-22(32-34(9,10)28(3,4)5)16-17-23-24-19-27(30)31-25(24)20-26(23)33-35(11,12)29(6,7)8/h16-17,21-26H,13-15,18-20H2,1-12H3/b17-16+/t21?,22-,23+,24+,25-,26+/m1/s1
InChIKey
FNKWBXQWAOGUTD-JYRPOALVSA-N
Chemical Structure
2D Structure
2D structure of (3aS,4S,5S,6aR)-5-((tert-Butyldimethylsilyl)oxy)-4-((3S,E)-3-((tert-butyldimethylsilyl)oxy)-5-methylnon-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one
CAS: 149585-88-6
CID: 127264473
Formula: C29H56O4Si2
MW: 524.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass524.37171333
Monoisotopic Mass524.37171333
Topological Polar Surface Area44.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity732
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-P03168-01Prostaglandin Impurity A
AR-P33079-01Prostaglandin Impurity 5
AR-P03166-01Prostaglandin impurity I
AR-P03164-01Prostaglandin impurity F
AR-P33078-01Prostaglandin Impurity 4
AR-P33067-01Prostaglandin Impurity 3
AR-P33057-01Prostaglandin Impurity 1
AR-P03163-01Prostaglandin impurity D
AR-P03165-01Prostaglandin impurity H
AR-P33066-01Prostaglandin Impurity 2

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