Isomangiferin

C₁₉H₁₈O₁₁CAS 24699-16-9422.34 g/mol

Open in Covalent MOL file

Alcohol Ether Phenol

Properties

Molecular formula: C₁₉H₁₈O₁₁
Molar mass: 422.34 g/mol
Exact mass: 422.0849 Da
logP: -0.72Crippen estimate
Polar surface area: 201.3 Å²
H-bond donors / acceptors: 8 / 11
Rotatable bonds: 2
Stereocentres: S, R, S, R, Rin SMILES atom order

Identifiers

CAS number

24699-16-9

SMILES

O=c1c2cc(O)c(O)cc2oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12

InChIKey

CDYBOKJASDEORM-HBVDJMOISA-N

InChI

InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2/t11-,15-,16+,17-,19+/m1/s1

Weigh it out

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

Names and synonyms

3 names

9H-Xanthen-9-one, 4-β-D-glucopyranosyl-1,3,6,7-tetrahydroxy-
4-β-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one
4-C-Glucosyl-1,3,6,7-tetrahydroxyxanthone

Work with Isomangiferin

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

Lancerin81991-99-380 % similar Orientin28608-75-562 % similar Neomangiferin64809-67-261 % similar Vitexin3681-93-458 % similar 3′-Hydroxypuerarin117060-54-555 % similar Isoorientin4261-42-151 % similar Puerarin3681-99-051 % similar Isovitexin29702-25-849 % similar

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

Same formula

Mangiferin4773-96-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook