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101236-50-4 | 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-6,8-bis(3-methyl-2-buten-1-yl)-, (2R,3R)-
CAS No: 101236-50-4 Catalog No: AG00040H MDL No:
Product Description
Catalog Number:
AG00040H
Chemical Name:
4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-6,8-bis(3-methyl-2-buten-1-yl)-, (2R,3R)-
CAS Number:
101236-50-4
Molecular Formula:
C25H28O7
Molecular Weight:
440.4856
IUPAC Name:
(2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C25H28O7/c1-12(2)5-8-16-20(28)17(9-6-13(3)4)24-19(21(16)29)22(30)23(31)25(32-24)15-10-7-14(26)11-18(15)27/h5-7,10-11,23,25-29,31H,8-9H2,1-4H3/t23-,25+/m0/s1
InChI Key:
GKENRJIRKFSNED-UKILVPOCSA-N
SMILES:
CC(=CCc1c2O[C@H](c3ccc(cc3O)O)[C@H](C(=O)c2c(c(c1O)CC=C(C)C)O)O)C
Properties
Complexity:
724
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
440.184g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
440.492g/mol
Monoisotopic Mass:
440.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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