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Prostaglandin Impurity 43

CAT: 1299-RM-P151505-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P151505-01Size:10 mg
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CAS Number
42743-23-7
Synonyms
(3aR,4R,5R,6aS) -4- ((S, E) -3-hydroxy-3-methyloct-1-en-1-yl) -2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate
Molecular Formula
C29H34O5
Molecular Weight
462.59
Target Alternative Name
Prostaglandin
Product Name Synonym
(3aR,4R,5R,6aS) -4- ((S, E) -3-hydroxy-3-methyloct-1-en-1-yl) -2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate

Chemical Information

(3aR,4R,5R,6aS)-4-((S,E)-3-hydroxy-3-methyloct-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate
CAS Number42743-23-7
PubChem CID73357590
IUPAC Name[(3aR,4R,5R,6aS)-4-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
Molecular FormulaC29H34O5
Molecular Weight462.6
XLogP6
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity718
SMILES
CCCCC[C@@](C)(/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/C29H34O5/c1-3-4-8-16-29(2,32)17-15-23-24-18-27(30)33-26(24)19-25(23)34-28(31)22-13-11-21(12-14-22)20-9-6-5-7-10-20/h5-7,9-15,17,23-26,32H,3-4,8,16,18-19H2,1-2H3/b17-15+/t23-,24-,25-,26+,29+/m1/s1
InChIKey
BQIKXRSRRDDDEM-DERGJGKYSA-N
Chemical Structure
2D Structure
2D structure of (3aR,4R,5R,6aS)-4-((S,E)-3-hydroxy-3-methyloct-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate
CAS: 42743-23-7
CID: 73357590
Formula: C29H34O5
MW: 462.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.6
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass462.24062418
Monoisotopic Mass462.24062418
Topological Polar Surface Area72.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity718
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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