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Home > Imidazoles > 55623-37-5
55623-37-5 | (7aR,12aS)-7a-(1,1-Dimethyl-2-propenyl)-7a,12-dihydro-3-[(E)-(1H-imidazol-4-yl)methylene]-6,12-dimethoxy-1H,5H-imidazo[1',2'
CAS No: 55623-37-5 Catalog No: AG00DOIK MDL No:
Product Description
Catalog Number:
AG00DOIK
Chemical Name:
(7aR,12aS)-7a-(1,1-Dimethyl-2-propenyl)-7a,12-dihydro-3-[(E)-(1H-imidazol-4-yl)methylene]-6,12-dimethoxy-1H,5H-imidazo[1',2'
CAS Number:
55623-37-5
IUPAC Name:
(1S,9R,14E)-14-(1H-imidazol-5-ylmethylidene)-2,11-dimethoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
InChI:
InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24-/m0/s1
InChI Key:
SOHAVULMGIITDH-ZXPSTKSJSA-N
Properties
Complexity:
945
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
447.191g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
447.495g/mol
Monoisotopic Mass:
447.191g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Roquefortine/oxaline biosynthesis pathway metabolites in Penicillium ser. Corymbifera: in planta production and implications for competitive fitness. | Journal of chemical ecology 20051001 |
| A concise stereoselective route to the indoline spiroaminal framework of neoxaline and oxaline. | Organic letters 20050303 |
| Oxaline, a fungal alkaloid, arrests the cell cycle in M phase by inhibition of tubulin polymerization. | Biochimica et biophysica acta 20040723 |
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