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116964-16-0 | 1-Propanone, 1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl]-2-methyl-
CAS No: 116964-16-0 Catalog No: AG000DEU MDL No:
Product Description
Catalog Number:
AG000DEU
Chemical Name:
1-Propanone, 1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl]-2-methyl-
CAS Number:
116964-16-0
Molecular Formula:
C26H30O8
Molecular Weight:
470.5116
IUPAC Name:
1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-2-methylpropan-1-one
InChI:
InChI=1S/C26H30O8/c1-11(2)19(28)18-22(31)15(21(30)14-8-9-26(5,6)34-25(14)18)10-16-23(32)17(13(4)27)20(29)12(3)24(16)33-7/h8-9,11,29-32H,10H2,1-7H3
InChI Key:
BYAZINICHUCWIL-UHFFFAOYSA-N
SMILES:
COc1c(Cc2c(O)c3C=CC(Oc3c(c2O)C(=O)C(C)C)(C)C)c(O)c(c(c1C)O)C(=O)C
Properties
Complexity:
792
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.194g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
470.518g/mol
Monoisotopic Mass:
470.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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