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1228175-65-2 | 2H-1-Benzopyran-2-one, 8-[(3,7-dimethyl-2,6-octadien-1-yl)oxy]-5,7-dimethoxy-
CAS No: 1228175-65-2 Catalog No: AG000JJM MDL No:MFCD20260380
Product Description
Catalog Number:
AG000JJM
Chemical Name:
2H-1-Benzopyran-2-one, 8-[(3,7-dimethyl-2,6-octadien-1-yl)oxy]-5,7-dimethoxy-
CAS Number:
1228175-65-2
Molecular Formula:
C21H26O5
Molecular Weight:
358.4281
MDL Number:
MFCD20260380
IUPAC Name:
8-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5,7-dimethoxychromen-2-one
InChI:
InChI=1S/C21H26O5/c1-14(2)7-6-8-15(3)11-12-25-21-18(24-5)13-17(23-4)16-9-10-19(22)26-20(16)21/h7,9-11,13H,6,8,12H2,1-5H3/b15-11+
InChI Key:
UFGXRHHXLABPNI-RVDMUPIBSA-N
SMILES:
COc1cc(OC)c2c(c1OCC=C(CCC=C(C)C)C)oc(=O)cc2
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
358.178g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.434g/mol
Monoisotopic Mass:
358.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| New geranyloxycoumarins from Toddalia asiatica. | Journal of Asian natural products research 20090801 |
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