chempirical

β-Anhydroicaritin

C21H20O6CAS 38226-86-7368.39 g/mol

Open in Covalent MOL file
OOOHOHOO
EtherPhenol

Properties

Molecular formula
C21H20O6
Molar mass
368.39 g/mol
Exact mass
368.1260 Da
Melting point
222–223 °C
logP
3.98Crippen estimate
Polar surface area
89.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2

Identifiers

CAS number
38226-86-7
SMILES
COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O)OC(C)(C)CC4)cc1
InChIKey
PPCHTBBOSVKORE-UHFFFAOYSA-N
InChI
InChI=1S/C21H20O6/c1-21(2)9-8-13-15(27-21)10-14(22)16-17(23)18(24)19(26-20(13)16)11-4-6-12(25-3)7-5-11/h4-7,10,22,24H,8-9H2,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • 4H,8H-Benzo[1,2-b:3,4-b′]dipyran-4-one, 9,10-dihydro-3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-
  • 9,10-Dihydro-3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b′]dipyran-4-one
  • Icaritin, β-anhydro-
  • Cycloicaritin
  • Anhydroicaritin
  • 3,5-Dihydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one

Work with β-Anhydroicaritin

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

Icariside I hydrate128988-55-660 % similar Kaempferide491-54-354 % similar Icariside I56725-99-650 % similar Rhamnocitrin569-92-649 % similar Rhamnetin90-19-747 % similar Herbacetin527-95-745 % similar Isorhamnetin480-19-343 % similar Tamarixetin603-61-243 % similar

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

Same formula

Icaritin118525-40-9 Curcumin458-37-7 Glycycoumarin94805-82-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook