Bilobetin

C₃₁H₂₀O₁₀CAS 521-32-4552.49 g/mol

Open in Covalent MOL file

Ether Phenol

Properties

Molecular formula: C₃₁H₂₀O₁₀
Molar mass: 552.49 g/mol
Exact mass: 552.1056 Da
Melting point: 225 °C
logP: 5.44Crippen estimate
Polar surface area: 170.8 Å²
H-bond donors / acceptors: 5 / 10
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

521-32-4

SMILES

COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1-c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12

InChIKey

IWEIJEPIYMAGTH-UHFFFAOYSA-N

InChI

InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-36H,1H3

Weigh it out

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

Names and synonyms

5 names

4H-1-Benzopyran-4-one, 8-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
3′′′,8-Biflavone, 4′,5,5′′,7,7′′-pentahydroxy-4′′′-methoxy-
8-[5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
4′-Monomethylamentoflavone
4′-O-Methylamentoflavone

Work with Bilobetin

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

Isoginkgetin548-19-690 % similar Ginkgetin481-46-987 % similar Amentoflavone1617-53-478 % similar Sciadopitysin521-34-677 % similar Diosmetin520-34-369 % similar Chrysoeriol491-71-466 % similar Acacetin480-44-463 % similar Apigenin520-36-562 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook