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130548-10-6

130548-10-6 | Benz[a]anthracene-1,7,12(2H)-trione, 3,4-dihydro-8-methoxy-3-methyl-, (3S)-

CAS No: 130548-10-6 Catalog No: AG000UML MDL No:

Product Description

Catalog Number:
AG000UML
Chemical Name:
Benz[a]anthracene-1,7,12(2H)-trione, 3,4-dihydro-8-methoxy-3-methyl-, (3S)-
CAS Number:
130548-10-6
Molecular Formula:
C20H16O4
Molecular Weight:
320.3386
IUPAC Name:
(3S)-8-methoxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
InChI:
InChI=1S/C20H16O4/c1-10-8-11-6-7-13-18(16(11)14(21)9-10)20(23)12-4-3-5-15(24-2)17(12)19(13)22/h3-7,10H,8-9H2,1-2H3/t10-/m0/s1
InChI Key:
ZUCWNLVDTXGGSU-JTQLQIEISA-N
SMILES:
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@H](C3)C

Properties

Complexity:
568  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
320.105g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.344g/mol
Monoisotopic Mass:
320.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Literature

Title Journal
Saccharosporones A, B and C, cytotoxic antimalarial angucyclinones from Saccharopolyspora sp. BCC 21906. The Journal of antibiotics 20130601
The cobalt way to angucyclinones: asymmetric total synthesis of the antibiotics (+)-rubiginone B2, (-)-tetrangomycin, and (-)-8-O-methyltetrangomycin. Chemistry (Weinheim an der Bergstrasse, Germany) 20100802
Angucyclinone antibiotics: total syntheses of YM-181741, (+)-ochromycinone, (+)-rubiginone B2, (-)-tetrangomycin, and MM-47755. The Journal of organic chemistry 20070803
Efficient method for synthesis of angucyclinone antibiotics via gold-catalyzed intramolecular [4 + 2] benzannulation: enantioselective total synthesis of (+)-ochromycinone and (+)-rubiginone B2. The Journal of organic chemistry 20051028

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