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22961-79-1 | 9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy-
CAS No: 22961-79-1 Catalog No: AG002LOR MDL No:
Product Description
Catalog Number:
AG002LOR
Chemical Name:
9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy-
CAS Number:
22961-79-1
Molecular Formula:
C17H16O7
Molecular Weight:
332.3047
IUPAC Name:
1-hydroxy-2,3,4,5-tetramethoxyxanthen-9-one
InChI:
InChI=1S/C17H16O7/c1-20-9-7-5-6-8-11(18)10-12(19)15(21-2)17(23-4)16(22-3)14(10)24-13(8)9/h5-7,19H,1-4H3
InChI Key:
ZHOIDKZROFMQSS-UHFFFAOYSA-N
SMILES:
COc1c(OC)c2oc3c(OC)cccc3c(=O)c2c(c1OC)O
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.308g/mol
Monoisotopic Mass:
332.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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 |
| Inhibitors of bone resorption from Halenia corniculata. | Archives of pharmacal research 20080701 |
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