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Substance Name: Fumonisin A2
RN: 117415-47-1
InChIKey: GQCJWFPDXATUKS-HWLZWWINSA-N

Molecular Formula

  • C36-H61-N-O15

Molecular Weight

  • 747.87
 
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Names and Synonyms

Name of Substance

  • Fumonisin A2

Synonym

  • 1,1'-(1-(12-Acetyloxy-9,11-dihydroxy-2-methyltridecyl)-2-(1-methylpentyl)-1,2-ethanediyl) 1,2,3-propanetricarboxylate

Systematic Name

  • 1,2,3-Propanetricarboxylic acid, 1,1'-((1S,2R)-1-((2S,9R,11S,12S)-12-acetyloxy-9,11-dihydroxy-2-methyltridecyl)-2-((1R)-1-methylpentyl)-1,2-ethanediyl) ester, (2R)-

Registry Numbers

CAS Registry Number

  • 117415-47-1

System Generated Number

  • 0117415471

Structure Descriptors

InChI

1S/C36H61NO15/c1-6-7-13-22(3)34(52-33(46)19-26(36(49)50)17-31(43)44)29(51-32(45)18-25(35(47)48)16-30(41)42)15-21(2)12-10-8-9-11-14-27(39)20-28(40)23(4)37-24(5)38/h21-23,25-29,34,39-40H,6-20H2,1-5H3,(H,37,38)(H,41,42)(H,43,44)(H,47,48)(H,49,50)/t21-,22+,23+,25+,26+,27-,28+,29-,34+/m0/s1

InChIKey

GQCJWFPDXATUKS-HWLZWWINSA-N

Smiles

OC(C[C@@H](C(=O)O)CC(O[C@H]([C@@H]([C@@H](CCCC)C)OC(C[C@H](C(=O)O)CC(=O)O)=O)C[C@H](CCCCCC[C@@H](C[C@H]([C@@H](C)NC(C)=O)O)O)C)=O)=O