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23132-13-0 | 4H-1-Benzopyran-4-one, 5-hydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl]-7-methoxy-2-(4-methoxyphenyl)-
CAS No: 23132-13-0 Catalog No: AG002MAO MDL No:MFCD20260823
Product Description
Catalog Number:
AG002MAO
Chemical Name:
4H-1-Benzopyran-4-one, 5-hydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl]-7-methoxy-2-(4-methoxyphenyl)-
CAS Number:
23132-13-0
Molecular Formula:
C33H24O10
Molecular Weight:
580.5377
MDL Number:
MFCD20260823
IUPAC Name:
5-hydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)26-14-24(37)32-25(38)15-28(41-3)30(33(32)43-26)20-10-17(6-9-21(20)34)27-13-23(36)31-22(35)11-19(40-2)12-29(31)42-27/h4-15,34-35,38H,1-3H3
InChI Key:
NXPAGAZHSWSUFJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)OC)c1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2O)OC
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
580.137g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
580.545g/mol
Monoisotopic Mass:
580.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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