Product Name

  • Name

    Gamma-mangostin

  • EINECS
  • CAS No. 31271-07-5
  • Article Data6
  • CAS DataBase
  • Density 1.326 g/cm3
  • Solubility
  • Melting Point 206-208 °C
  • Formula C23H24O6
  • Boiling Point 648.4 °C at 760 mmHg
  • Molecular Weight 396.44
  • Flash Point 226.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 31271-07-5 (Gamma-mangostin)
  • Hazard Symbols Xn
  • Synonyms 9H-Xanthen-9-one,1,3,6,7-tetrahydroxy-2,8-bis(3-methyl-2-butenyl)- (9CI);Mangostin, demethyl-(6CI);Xanthen-9-one, 1,3,6,7-tetrahydroxy-2,8-bis(3-methyl-2-butenyl)- (8CI);1,3,6,7-Tetrahydroxy-2,8-bis(3,3-dimethylallyl)xanthone;Normangostin;g-Mangostin;1,3,6,7-Tetrahydroxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one;
  • PSA
  • LogP

gamma-Mangostin Specification

The CAS register number of gamma-Mangostin is 31271-07-5. It also can be called as 9H-Xanthen-9-one,1,3,6,7-tetrahydroxy-2,8-bis(3-methyl-2-buten-1-yl)- and the systematic name about this chemical is 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one. The molecular formula about this chemical is C23H24O6 and the molecular weight is 396.43.

Physical properties about gamma-Mangostin are: (1)ACD/LogP: 5.14; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 63.22Å2; (7)Index of Refraction: 1.655; (8)Molar Refractivity: 109.75 cm3; (9)Molar Volume: 298.8 cm3; (10)Polarizability: 43.51x10-24cm3; (11)Surface Tension: 61.1 dyne/cm; (12)Enthalpy of Vaporization: 99.07 kJ/mol; (13)Boiling Point: 648.4 °C at 760 mmHg; (14)Vapour Pressure: 2.07E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c3c(Oc2c1c(O)c(c(O)c2)C\C=C(/C)C)cc(O)c(O)c3C\C=C(/C)C
(2)InChI: InChI=1/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
(3)InChIKey: VEZXFTKZUMARDU-UHFFFAOYAV
(4)Std. 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
(5)Std. InChIKey: VEZXFTKZUMARDU-UHFFFAOYSA-N

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