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Prostaglandin Impurity 17

CAT: 1299-RM-P151477-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P151477-01Size:10 mg
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CAS Number
55444-68-3
Synonyms
(3aR,4R,5R,6aS) -4- ((S, E) -3-hydroxy-5-phenylpent-1-en-1-yl) -2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate
Molecular Formula
C25H26O5
Molecular Weight
406.48
Target Alternative Name
Prostaglandin
Product Name Synonym
(3aR,4R,5R,6aS) -4- ((S, E) -3-hydroxy-5-phenylpent-1-en-1-yl) -2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate

Chemical Information

((3aR,4R,5R,6aS)-4-((E,3S)-3-hydroxy-5-phenylpent-1-enyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta(b)furan-5-yl) benzoate
CAS Number55444-68-3
PubChem CID10201368
IUPAC Name[(3aR,4R,5R,6aS)-4-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
Molecular FormulaC25H26O5
Molecular Weight406.5
XLogP4.1
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity617
SMILES
C1[C@H]2[C@H](CC(=O)O2)[C@H]([C@@H]1OC(=O)C3=CC=CC=C3)/C=C/[C@H](CCC4=CC=CC=C4)O
InChI
InChI=1S/C25H26O5/c26-19(12-11-17-7-3-1-4-8-17)13-14-20-21-15-24(27)29-23(21)16-22(20)30-25(28)18-9-5-2-6-10-18/h1-10,13-14,19-23,26H,11-12,15-16H2/b14-13+/t19-,20+,21+,22+,23-/m0/s1
InChIKey
GWKXXTFDNXEANF-ONKQBBKDSA-N
Chemical Structure
2D Structure
2D structure of ((3aR,4R,5R,6aS)-4-((E,3S)-3-hydroxy-5-phenylpent-1-enyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta(b)furan-5-yl) benzoate
CAS: 55444-68-3
CID: 10201368
Formula: C25H26O5
MW: 406.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass406.17802393
Monoisotopic Mass406.17802393
Topological Polar Surface Area72.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity617
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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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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