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143724-69-0 | 4H-1-Benzopyran-4-one, 3,7-bis(acetyloxy)-2-[4-(acetyloxy)phenyl]-5-hydroxy-
CAS No: 143724-69-0 Catalog No: AG001I9Y MDL No:MFCD20260493
Product Description
Catalog Number:
AG001I9Y
Chemical Name:
4H-1-Benzopyran-4-one, 3,7-bis(acetyloxy)-2-[4-(acetyloxy)phenyl]-5-hydroxy-
CAS Number:
143724-69-0
Molecular Formula:
C21H16O9
Molecular Weight:
412.3463
MDL Number:
MFCD20260493
IUPAC Name:
[4-(3,7-diacetyloxy-5-hydroxy-4-oxochromen-2-yl)phenyl] acetate
InChI:
InChI=1S/C21H16O9/c1-10(22)27-14-6-4-13(5-7-14)20-21(29-12(3)24)19(26)18-16(25)8-15(28-11(2)23)9-17(18)30-20/h4-9,25H,1-3H3
InChI Key:
DJKUFDVJACBQPB-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)c1oc2cc(OC(=O)C)cc(c2c(=O)c1OC(=O)C)O
Properties
Complexity:
748
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.079g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.35g/mol
Monoisotopic Mass:
412.079g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Flavonoids and benzene derivatives from the flowers and fruit of Tetrapanax papyriferus. | Journal of natural products 20051201 |
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