chempirical

Sophoflavescenol

C21H20O6CAS 216450-65-6368.39 g/mol

Open in Covalent MOL file
HOOOOOHOH
AlkeneEtherPhenol

Properties

Molecular formula
C21H20O6
Molar mass
368.39 g/mol
Exact mass
368.1260 Da
logP
4.09Crippen estimate
Polar surface area
100.1 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
4

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
216450-65-6
SMILES
CC(=CCC1=C2C(=C(C=C1O)OC)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)C
InChIKey
VMLJAWUWVVHRNG-UHFFFAOYSA-N
InChI
InChI=1S/C21H20O6/c1-11(2)4-9-14-15(23)10-16(26-3)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3

Weigh it out

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Work with Sophoflavescenol

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

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

Same formula

Icaritin118525-40-9 β-Anhydroicaritin38226-86-7 Curcumin458-37-7 Glycycoumarin94805-82-0

Elsewhere

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