chempirical

γ-Mangostin

C23H24O6CAS 31271-07-5396.44 g/mol

Open in Covalent MOL file
HOOOHOHOOH
AlkenePhenol

Properties

Molecular formula
C23H24O6
Molar mass
396.44 g/mol
Exact mass
396.1573 Da
Melting point
206–208 °C
logP
4.79Crippen estimate
Polar surface area
111.1 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
4

Identifiers

CAS number
31271-07-5
SMILES
CC(C)=CCc1c(O)cc2oc3cc(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O
InChIKey
VEZXFTKZUMARDU-UHFFFAOYSA-N
InChI
InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/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

9 names
  • 9H-Xanthen-9-one, 1,3,6,7-tetrahydroxy-2,8-bis(3-methyl-2-buten-1-yl)-
  • 9H-Xanthen-9-one, 1,3,6,7-tetrahydroxy-2,8-bis(3-methyl-2-butenyl)-
  • Xanthen-9-one, 1,3,6,7-tetrahydroxy-2,8-bis(3-methyl-2-butenyl)-
  • Mangostin, demethyl-
  • 1,3,6,7-Tetrahydroxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
  • Normangostin
  • 1,3,6,7-Tetrahydroxy-2,8-bis(3,3-dimethylallyl)xanthone
  • 7-O-Demethyl-α-mangostin
  • 1,3,6,7-Tetrahydroxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one

Work with γ-Mangostin

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

Mangostin6147-11-176 % similar Garcinone C76996-27-576 % similar β-Mangostin20931-37-766 % similar 8-Deoxygartanin33390-41-949 % similar Icaritin118525-40-946 % similar Glycyrol23013-84-543 % similar Demethylsuberosin21422-04-842 % similar Glycycoumarin94805-82-040 % similar

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

Same formula

Gartanin33390-42-0 Dimethylcurcumin52328-98-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook