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89240-39-1

89240-39-1 | 9H-Xanthen-9-one, 1,7-dihydroxy-2,3,4,5-tetramethoxy-

CAS No: 89240-39-1 Catalog No: AG00432I MDL No:

Product Description

Catalog Number:
AG00432I
Chemical Name:
9H-Xanthen-9-one, 1,7-dihydroxy-2,3,4,5-tetramethoxy-
CAS Number:
89240-39-1
Molecular Formula:
C17H16O8
Molecular Weight:
348.3041
IUPAC Name:
1,7-dihydroxy-2,3,4,5-tetramethoxyxanthen-9-one
InChI:
InChI=1S/C17H16O8/c1-21-9-6-7(18)5-8-11(19)10-12(20)15(22-2)17(24-4)16(23-3)14(10)25-13(8)9/h5-6,18,20H,1-4H3
InChI Key:
WLIKYUHKODSIMR-UHFFFAOYSA-N
SMILES:
COc1c(OC)c(O)c2c(c1OC)oc1c(c2=O)cc(cc1OC)O

Properties

Complexity:
485  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.085g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
348.307g/mol
Monoisotopic Mass:
348.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Literature

Title Journal
In vitro study on metabolite profiles of bioactive xanthones isolated from Halenia elliptica D. Don by high performance liquid chromatography coupled to ion trap time-of-flight mass spectrometry. Journal of pharmaceutical and biomedical analysis 20120325
Vasodilatory actions of xanthones isolated from a Tibetan herb, Halenia elliptica. Phytomedicine : international journal of phytotherapy and phytopharmacology 20091201

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