CAS No.33390-42-0,1,3,5,8-Tetrahydroxy-2,4-bis(3-methyl-2-butenyl)-9H-xanthen-9-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	33390-42-0
Name:	1,3,5,8-Tetrahydroxy-2,4-bis(3-methyl-2-butenyl)-9H-xanthen-9-one
Article Data:	1

Formula:	C₂₃H₂₄O₆
Molecular Weight:	396.44
Synonyms:	9H-Xanthen-9-one,1,3,5,8-tetrahydroxy-2,4-bis(3-methyl-2-butenyl)- (9CI);Xanthen-9-one, 1,3,5,8-tetrahydroxy-2,4-bis(3-methyl-2-butenyl)-(8CI);Gartanin;NSC 692946;
Density:	1.326 g/cm³
Melting Point:	167℃
Boiling Point:	644.4 °C at 760 mmHg
Flash Point:	224.9 °C
PSA:	111.13000
LogP:	4.78600

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Specification

The CAS register number of Gartanin is 33390-42-0. It also can be called as 1,3,5,8-Tetrahydroxy-2,4-bis(3-methyl-2-butenyl)-9H-xanthen-9-one and the IUPAC name about this chemical is 1,3,5,8-tetrahydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one. The molecular formula about this chemical is C₂₃H₂₄O₆and molecular weight is 396.44.

Physical properties about Gartanin are: (1)ACD/LogP: 4.52; (2)ACD/LogD (pH 5.5): 4.5; (3)ACD/LogD (pH 7.4): 3.87; (4)ACD/BCF (pH 5.5): 1537.66; (5)ACD/BCF (pH 7.4): 358.88; (6)ACD/KOC (pH 5.5): 6587.56; (7)ACD/KOC (pH 7.4): 1537.5; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 63.22Å²; (12)Index of Refraction: 1.655; (13)Molar Refractivity: 109.75 cm³; (14)Molar Volume: 298.8 cm³; (15)Polarizability: 43.51x10^-24cm³; (16)Surface Tension: 61.1 dyne/cm; (17)Enthalpy of Vaporization: 98.53 kJ/mol; (18)Boiling Point: 644.4 °C at 760 mmHg; (19)Vapour Pressure: 3.33E-17 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-hydroxy-3,5,8-trimethoxy-2,4-bis-(3-methyl-but-2-enyl)-xanthen-9-one. This reaction also will produce 1,3,8-trihydroxy-5-methoxy-2,4-bis-(3-methyl-but-2-enyl)-xanthen-9-one. It will need reagent aq. morpholine. The yield is about 30%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c3c(O)c(c(O)c(c3Oc2c1c(O)ccc2O)C\C=C(/C)C)C\C=C(/C)C
(2)InChI: InChI=1/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
(3)InChIKey: OJXQLGQIDIPMTE-UHFFFAOYAJ
(4)Std. 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
(5)Std. InChIKey: OJXQLGQIDIPMTE-UHFFFAOYSA-N