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79748-81-5 | 3,5,7,9-Undecatetraenoicacid,2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hex-1-yl]-4,6,10-trimethyl-11-oxo-,methyl ester, (2E,3E,5E,7E,9E)-
CAS No: 79748-81-5 Catalog No: AG0056AN MDL No:
Product Description
Catalog Number:
AG0056AN
Chemical Name:
3,5,7,9-Undecatetraenoicacid,2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hex-1-yl]-4,6,10-trimethyl-11-oxo-,methyl ester, (2E,3E,5E,7E,9E)-
CAS Number:
79748-81-5
Molecular Formula:
C23H29NO7
Molecular Weight:
431.4789
IUPAC Name:
methyl (2E,3E,5E,7E,9E)-2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate
InChI:
InChI=1S/C23H29NO7/c1-6-17(19(27)30-5)13-15(3)12-14(2)8-7-9-16(4)18(26)23-20(31-23)22(29,10-11-25)24-21(23)28/h6-9,12-13,20,25,29H,10-11H2,1-5H3,(H,24,28)/b8-7+,14-12+,15-13+,16-9+,17-6+/t20-,22-,23-/m0/s1
InChI Key:
FZFYFSUIOSWLHW-UNZVFGKVSA-N
SMILES:
OCC[C@@]1(O)NC(=O)[C@@]2([C@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C
UNII:
C3F3Z00LM3
Properties
Complexity:
924
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
5
Exact Mass:
431.194g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
431.485g/mol
Monoisotopic Mass:
431.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Genetic manipulation of the Fusarium fujikuroi fusarin gene cluster yields insight into the complex regulation and fusarin biosynthetic pathway. | Chemistry & biology 20130822 |
| Identification of gene clusters associated with fusaric acid, fusarin, and perithecial pigment production in Fusarium verticillioides. | Fungal genetics and biology : FG & B 20120701 |
| Structure elucidation of new fusarins revealing insights in the rearrangement mechanisms of the Fusarium mycotoxin fusarin C. | Journal of agricultural and food chemistry 20120530 |
| A new high-performance liquid chromatography-tandem mass spectrometry method based on dispersive solid phase extraction for the determination of the mycotoxin fusarin C in corn ears and processed corn samples. | Journal of agricultural and food chemistry 20111012 |
| Fusarin C acts like an estrogenic agonist and stimulates breast cancer cells in vitro. | Toxicology letters 20110828 |
| Development of monoclonal antibodies for the fusarin mycotoxins. | Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20080101 |
| Synthesis of [1,2-13C2, 15N]-L-homoserine and its incorporation by the PKS-NRPS system of Fusarium moniliforme into the mycotoxin fusarin C. | Chembiochem : a European journal of chemical biology 20070102 |
| Production of mutagenic metabolites by Metarhizium anisopliae. | Journal of agricultural and food chemistry 20060920 |
| Functional analysis of the polyketide synthase genes in the filamentous fungus Gibberella zeae (anamorph Fusarium graminearum). | Eukaryotic cell 20051101 |
| Fusarin C biosynthesis in Fusarium moniliforme and Fusarium venenatum. | Chembiochem : a European journal of chemical biology 20040906 |
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