chempirical

Gartanin

C23H24O6CAS 33390-42-0396.44 g/mol

Open in Covalent MOL file
OHOOHHOOHO
AlkenePhenol

Properties

Molecular formula
C23H24O6
Molar mass
396.44 g/mol
Exact mass
396.1573 Da
Melting point
166–168 °C
logP
4.79Crippen estimate
Polar surface area
111.1 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
4

Identifiers

CAS number
33390-42-0
SMILES
CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)ccc(O)c3c(=O)c2c1O
InChIKey
OJXQLGQIDIPMTE-UHFFFAOYSA-N
InChI
InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3

Weigh it out

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

Names and synonyms

6 names
  • 9H-Xanthen-9-one, 1,3,5,8-tetrahydroxy-2,4-bis(3-methyl-2-buten-1-yl)-
  • 9H-Xanthen-9-one, 1,3,5,8-tetrahydroxy-2,4-bis(3-methyl-2-butenyl)-
  • Xanthen-9-one, 1,3,5,8-tetrahydroxy-2,4-bis(3-methyl-2-butenyl)-
  • 1,3,5,8-Tetrahydroxy-2,4-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
  • NSC 692946
  • 1,3,5,8-Tetrahydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one

Work with Gartanin

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

8-Deoxygartanin33390-41-975 % similar Mangostin6147-11-154 % similar β-Mangostin20931-37-752 % similar Icaritin118525-40-950 % similar Garcinone C76996-27-548 % similar Glycyrol23013-84-540 % similar Demethylsuberosin21422-04-839 % similar Demethylbellidifolin2980-32-739 % similar

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

Same formula

γ-Mangostin31271-07-5 Dimethylcurcumin52328-98-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook