chempirical

2H-Cyclopenta[B]furan-2-one, 5-(benzoyloxy)hexahydro-4-(3-hydroxy-3-methyl-1-octenyl)-, [3ar-[3aa,4A(1E,3S*),5B,6aa]]-

C23H30O5CAS 54142-12-0386.49 g/mol

Open in Covalent MOL file
OOOOOH
AlcoholAlkeneEsterLactone

Properties

Molecular formula
C23H30O5
Molar mass
386.49 g/mol
Exact mass
386.2093 Da
logP
4.05Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
54142-12-0
SMILES
CCCCCC(C)(C=CC1C(CC2C1CC(=O)O2)OC(=O)C3=CC=CC=C3)O
InChIKey
BJFFNTLBFAIRDV-UHFFFAOYSA-N
InChI
InChI=1S/C23H30O5/c1-3-4-8-12-23(2,26)13-11-17-18-14-21(24)27-20(18)15-19(17)28-22(25)16-9-6-5-7-10-16/h5-7,9-11,13,17-20,26H,3-4,8,12,14-15H2,1-2H3

Weigh it out

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

Work with 2H-Cyclopenta[B]furan-2-one, 5-(benzoyloxy)hexahydro-4-(3-hydroxy-3-methyl-1-octenyl)-, [3ar-[3aa,4A(1E,3S*),5B,6aa]]-

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,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2H-cyclopenta[b]furan-2-one40834-88-668 % similar (3aR,4R,5R,6aS)-5-(Benzoyloxy)-4-[(1E)-4,4-difluoro-3-oxo-1-octen-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one50889-48-064 % similar (3aR,4R,5R,6aS)-4-((E)-3,3-Difluoro-4-phenoxybut-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate209861-00-757 % similar (3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-2-oxo-2H-cyclopenta[b]furan-4-carboxaldehyde39746-01-556 % similar (3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one39746-00-450 % similar (-)-Corey lactone31752-99-545 % 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 ester54142-64-243 % similar Corey pg-lactone diol39182-59-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ankaflavin50980-32-0

Elsewhere

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