Chem
J-GLOBAL ID：200907098946144894   Nikkaji number：J484.489K

Fumonisin B3

フモニシンB3
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C34H59NO14
Molecular formula furigana： C34-H59-N-O14
Molecular weight： 705.839
InChI： InChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22+,23?,24?,25+,26-,27-,32+/m0/s1
InChI key： CPCRJSQNWHCGOP-ZBUYIUKQSA-N
SMILES： CCCC[C@@H](C)[C@@H](OC(=O)CC(CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)CC(CC(=O)O)C(=O)O
Systematic name  (3)：
  • (2R,3S,10R,12S,14S,15R,16R)-2-アミノ-12,16-ジメチル-3,10,14,15-イコサンテトラオール14,15-ビス[3,4-ジ(ヒドロキシカルボニル)ブチラート]
  • 2-(2-{[(5R,6R,7S,9S,11R,18S,19R)-19-アミノ-6-[(3,4-ジカルボキシブタノイル)オキシ]-11,18-ジヒドロキシ-5,9-ジメチルイコサン-7-イル]オキシ}-2-オキソエチル)ブタン二酸
  • 2-(2-{[(5R,6R,7S,9S,11R,18S,19R)-19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-11,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy}-2-oxoethyl)butanedioic acid
Other name (5)：
  • フモニシンB3
  • Fumonisin B3
  • フモニシンB3
  • (2R,3S,10R,12S,14S,15R,16R)-2-Amino-12,16-dimethyl-3,10,14,15-icosanetetraol 14,15-bis[3,4-di(hydroxycarbonyl)butyrate]
  • Fumonisin B3
CAS registry number： 136379-59-4
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