chempirical

Lancerin

C19H18O10CAS 81991-99-3406.34 g/mol

Open in Covalent MOL file
OHOOOOHOHOHHOOHHO
AlcoholEtherPhenol

Properties

Molecular formula
C19H18O10
Molar mass
406.34 g/mol
Exact mass
406.0900 Da
logP
-0.42Crippen estimate
Polar surface area
181.1 Ų
H-bond donors / acceptors
7 / 10
Rotatable bonds
2
Stereocentres
S, R, S, R, Rin SMILES atom order

Identifiers

CAS number
81991-99-3
SMILES
O=c1c2cc(O)ccc2oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12
InChIKey
JUZGXATTXYZBGK-HBVDJMOISA-N
InChI
InChI=1S/C19H18O10/c20-5-11-15(25)16(26)17(27)19(29-11)13-9(23)4-8(22)12-14(24)7-3-6(21)1-2-10(7)28-18(12)13/h1-4,11,15-17,19-23,25-27H,5H2/t11-,15-,16+,17-,19+/m1/s1

Weigh it out

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

Names and synonyms

2 names
  • 9H-Xanthen-9-one, 4-β-D-glucopyranosyl-1,3,7-trihydroxy-
  • 4-β-D-Glucopyranosyl-1,3,7-trihydroxy-9H-xanthen-9-one

Work with Lancerin

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

Isomangiferin24699-16-980 % similar Vitexin3681-93-463 % similar Mangiferin4773-96-060 % similar Orientin28608-75-557 % similar Neomangiferin64809-67-254 % similar Puerarin3681-99-053 % similar Isovitexin29702-25-851 % similar Isovitexin38953-85-451 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook