(-)-Corey lactone

C21H20O5CAS 31752-99-5352.39 g/mol

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AlcoholEsterLactone

Properties

Molecular formula
C21H20O5
Molar mass
352.39 g/mol
Exact mass
352.1311 Da
logP
2.82Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4
Stereocentres
R, S, R, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 7 ECHA notifiers. Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
31752-99-5
SMILES
O=C1C[C@@H]2[C@@H](CO)[C@H](OC(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]2O1
InChIKey
SZJVIFMPKWMGSX-AKHDSKFASA-N
InChI
InChI=1S/C21H20O5/c22-12-17-16-10-20(23)25-18(16)11-19(17)26-21(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-19,22H,10-12H2/t16-,17-,18+,19-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • [1,1′-Biphenyl]-4-carboxylic acid, (3ar,4S,5R,6as)-hexahydro-4-(hydroxymethyl)-2-oxo-2H-cyclopenta[B]furan-5-yl ester
  • [1,1′-Biphenyl]-4-carboxylic acid, hexahydro-4-(hydroxymethyl)-2-oxo-2H-cyclopenta[b]furan-5-yl ester, [3aR-(3aα,4α,5β,6aα)]-
  • 4-Biphenylcarboxylic acid, 5-ester with 3,3aα,4,5,6,6aα-hexahydro-5β-hydroxy-4α-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one, (-)-
  • 2H-Cyclopenta[b]furan, [1,1′-biphenyl]-4-carboxylic acid deriv.
  • Corey lactone

Work with (-)-Corey lactone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one39746-00-486 % similar (3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-2-oxo-2H-cyclopenta[b]furan-4-carboxaldehyde39746-01-557 % similar (3aR,4S,5R,6aS)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one32233-40-249 % similar (3Ar,4S,5R,6as)-hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[B]furan-2-one54423-47-149 % similar [1,1'-Biphenyl]-4-carboxylic acid (3ar,4R,5R,6as)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[B]furan-5-yl ester54142-64-248 % similar (3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2H-cyclopenta[b]furan-2-one40834-88-647 % similar (3aR,4S,5R,6aS)-Hexahydro-4-(hydroxymethyl)-5-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-cyclopenta[b]furan-2-one69222-61-345 % similar (3aR,4R,5R,6aS)-4-((E)-3,3-Difluoro-4-phenoxybut-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate209861-00-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(4-(4-(Prop-2-yn-1-yloxy)benzoyl)phenoxy)pentanoic acid2140866-79-9

Elsewhere

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