(3aR,4R,5R,6aS)-4-((R,E)-4-(3-Chlorophenoxy)-3-hydroxybut-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate

Basic Information

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CAS Number

54713-44-9

Molecular Formula

C31H29ClO5

Molecular Weight

518.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

726.3±60.0 °C(Predicted)

Density

1.35±0.1 g/cm3(Predicted)

Flash Point

393.1±32.9 °C

Solubility

Insuluble (6.2E-5 g/L) (25 ºC),

Vapor Pressure

0.0±2.5 mmHg at 25°C

SMILES

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O=C(C1=CC=C(C2=CC=CC=C2)C=C1)O[C@H](C3)[C@H](/C=C/[C@@H](O)COC4=CC=CC(Cl)=C4)[C@](C5)([H])[C@@]3([H])OC5=O

InChI

InChI=1S/C30H27ClO6/c31-22-7-4-8-24(15-22)35-18-23(32)13-14-25-26-16-29(33)36-28(26)17-27(25)37-30(34)21-11-9-20(10-12-21)19-5-2-1-3-6-19/h1-15,23,25-28,32H,16-18H2/b14-13+/t23-,25-,26-,27-,28+/m1/s1

InChIKey

DNWCHCXQZFJKPS-QYNIEUIISA-N

LogP

5.480100000000005

pKa

13.32±0.20(Predicted)

Topological Polar Surface Area

82.06 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Synonyms & References

English

[1,1'-Biphenyl]-4-carboxylic acid, 4-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]hexahydro-2-oxo-2H-cyclop enta[b]furan-5-yl ester, [3aR-[3aa,4a(1E,3R*),5b,6aa]]
[3aR-[3aalpha,4alpha(1E,3R*),5beta,6aalpha]]-[1,1'-Biphenyl]-4-carboxylic acid 4-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester
[1,1'-Biphenyl]-4-carboxylic acid, 4-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester, [3aR-[3a,4(1E,3R*),5,6a]]-
[3aR-[3a,4(1E,3R*),5,6a]]-[1,1'-Biphenyl]-4-carboxylicacid,4-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester
[1,1'-Biphenyl]-4-carboxylicacid,4-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]hexahydro-2-oxo-2H-cyclopenta[b]furan-5-ylester,[3aR-[3α,4α(1E,3R*),5,6aα]]- (9CI)
[3aR-[3a,4(1E,3R*),5,6a]]- [1,1'-Biphenyl]-4-carboxylic acid,4-[4-(3-chlorophenoxy)-3-hydroxy-1-bute
(3aR-(3aα,4α(1E,3R*),5β,6aα))-(1,1'-biphenyl)-4-carboxylic acid 4-(4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)hexahydro-2-oxo-2H-cyclopenta(b)furan-5-yl ester(N-4)
[1,1'-Biphenyl]-4-carboxylic acid, 4-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester, [3aR-[3aα,4α(1E,3R*),5β,6aα]]- (9CI)
[1,1'-Biphenyl]-4-carboxylic acid, 4-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]hexahydro-2-oxo-2H-cyclop enta[b]furan-5-yl ester, [3aR-[3aa,4a(1E,3R*),5b,6aa]]-
[1,1′-BIPHENYL]-4-CARBOXYLIC ACID, 4-[4-(3-CHLOROPHENOXY)-3-HYDROXY-1-BUTENYL]HEXAHYDRO-2-OXO-2H-CYCLOPENTA[B]FURAN-5-Y...
[1,1'-Biphenyl]-4-carboxylic acid, 4-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]hexahydro-2-oxo-2H-cyclop enta[b]furan-5-yl est
[3Ar-[3Aalpha,4Alpha(1E,3R),5Beta,6Aalpha]]-[1,1'-Biphenyl]-4-Carboxylic Acid 4-[4-(3-Chlorophenoxy)-3-Hydroxy-1-Butenyl]Hexahydro-2-Oxo-2H-Cyclopenta[B]Furan-5-Yl Ester
(3aR,4R,5R,6aS)-4-((R,E)-4-(3-Chlorophenoxy)-3-hydroxybut-1-en-1-yl)-2-oxohexahydro-2H-cyclopentabfuran-5-yl 1,1'-biphenyl-4-carboxylate