chempirical

Przewaquinone A

C19H18O4CAS 76843-23-7310.35 g/mol

Open in Covalent MOL file
OOOHO
AlcoholKetone

Properties

Molecular formula
C19H18O4
Molar mass
310.35 g/mol
Exact mass
310.1205 Da
logP
3.43Crippen estimate
Polar surface area
67.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

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
76843-23-7
SMILES
CC1(CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4CO)C
InChIKey
CEHVTERMWMYLCP-UHFFFAOYSA-N
InChI
InChI=1S/C19H18O4/c1-19(2)7-3-4-11-13(19)6-5-12-15(11)17(22)16(21)14-10(8-20)9-23-18(12)14/h5-6,9,20H,3-4,7-8H2,1-2H3

Weigh it out

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

Work with Przewaquinone A

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

Tanshinone IIA568-72-972 % similar Sodium tanshinone IIA sulfonate69659-80-951 % similar Cryptotanshinone35825-57-140 % similar Tanshinone I568-73-034 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook