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115900-09-9 | [8,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-methoxyphenyl)-, [S-(R*,R*)]- (9CI)
CAS No: 115900-09-9 Catalog No: AG000H30 MDL No:
Product Description
Catalog Number:
AG000H30
Chemical Name:
[8,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-methoxyphenyl)-, [S-(R*,R*)]- (9CI)
CAS Number:
115900-09-9
IUPAC Name:
(2S)-8-[(2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C32H26O10/c1-39-17-7-3-15(4-8-17)25-13-23(37)27-19(33)11-21(35)29(31(27)41-25)30-22(36)12-20(34)28-24(38)14-26(42-32(28)30)16-5-9-18(40-2)10-6-16/h3-12,25-26,33-36H,13-14H2,1-2H3/t25-,26-/m0/s1
InChI Key:
XIKAZLWQXAZJRL-UIOOFZCWSA-N
Properties
Complexity:
883
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
570.153g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
570.55g/mol
Monoisotopic Mass:
570.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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