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128-59-6 | Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16,17-dihydroxy-
CAS No: 128-59-6 Catalog No: AG000XNS MDL No:MFCD00034580
Product Description
Catalog Number:
AG000XNS
Chemical Name:
Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16,17-dihydroxy-
CAS Number:
128-59-6
Molecular Formula:
C34H16O4
Molecular Weight:
488.4884
MDL Number:
MFCD00034580
IUPAC Name:
30,34-dihydroxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione
InChI:
InChI=1S/C34H16O4/c35-25-13-23-15-5-1-3-7-19(15)33(37)21-11-9-17-18-10-12-22-28-24(16-6-2-4-8-20(16)34(22)38)14-26(36)32(30(18)28)31(25)29(17)27(21)23/h1-14,35-36H
InChI Key:
MGYICCKROPVHMA-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2c2c3c1ccc1c3c(c(c2)O)c2c3c1ccc1c3c(cc2O)c2c(C1=O)cccc2
EC Number:
204-897-1
UNII:
GA294C8LU4
NSC Number:
23126
Properties
Complexity:
942
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.105g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
488.498g/mol
Monoisotopic Mass:
488.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
Literature
| Title | Journal |
|---|---|
| Properties of 16,17-disubstituted dihydroviolanthrones formed by reaction of violanthrones with photogenerated radicals. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20100801 |
| Discovery of small-molecule inhibitors of Bcl-2 through structure-based computer screening. | Journal of medicinal chemistry 20011206 |
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