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Prostaglandin Impurity 32

CAT: 1299-RM-P151492-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P151492-01Size:10 mg
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CAS Number
51014-26-7
Synonyms
(3aR,4R,5R,6aS) -4- ((S, E) -3-hydroxyoct-1-en-1-yl) -2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate
Molecular Formula
C28H32O5
Molecular Weight
448.56
Target Alternative Name
Prostaglandin
Product Name Synonym
(3aR,4R,5R,6aS) -4- ((S, E) -3-hydroxyoct-1-en-1-yl) -2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate

Chemical Information

[1,1'-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-hexahydro-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-oxo-2H-cyclopenta[b]furan-5-yl ester
CAS Number51014-26-7
PubChem CID6577156
IUPAC Name[(3aR,4R,5R,6aS)-4-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
Molecular FormulaC28H32O5
Molecular Weight448.5
XLogP5.8
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity674
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C28H32O5/c1-2-3-5-10-22(29)15-16-23-24-17-27(30)32-26(24)18-25(23)33-28(31)21-13-11-20(12-14-21)19-8-6-4-7-9-19/h4,6-9,11-16,22-26,29H,2-3,5,10,17-18H2,1H3/b16-15+/t22-,23+,24+,25+,26-/m0/s1
InChIKey
VUHYYFILFMCYQI-QCRMGOLMSA-N
Chemical Structure
2D Structure
2D structure of [1,1'-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-hexahydro-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-oxo-2H-cyclopenta[b]furan-5-yl ester
CAS: 51014-26-7
CID: 6577156
Formula: C28H32O5
MW: 448.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass448.22497412
Monoisotopic Mass448.22497412
Topological Polar Surface Area72.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity674
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-P03168-01Prostaglandin Impurity A
AR-P33079-01Prostaglandin Impurity 5
AR-P03166-01Prostaglandin impurity I
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AR-P33067-01Prostaglandin Impurity 3
AR-P33057-01Prostaglandin Impurity 1
AR-P03163-01Prostaglandin impurity D
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