Fumonisin B4

CAS Registry Number®

136379-60-7
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CAS Name

Fumonisin B4

Molecular Formula

C34H59NO13

Molecular Mass

689.83

Cite this Page

Fumonisin B4.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=136379-60-7 (retrieved 2024-04-29) (CAS RN: 136379-60-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H59NO13/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,36H,5-20,35H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,23-,24+,25+,26-,27-,32+/m0/s1

InChIKey

InChIKey=WYYKRDVIBOEORL-JLCKPESSSA-N

SMILES

[C@H]([C@H](OC(C[C@@H](CC(O)=O)C(O)=O)=O)[C@@H](CCCC)C)(OC(C[C@@H](CC(O)=O)C(O)=O)=O)C[C@H](CCCCCCCC[C@@H]([C@H](C)N)O)C

Canonical SMILES

O=C(O)CC(C(=O)O)CC(=O)OC(CC(C)CCCCCCCCC(O)C(N)C)C(OC(=O)CC(C(=O)O)CC(=O)O)C(C)CCCC

Other Names for this Substance

  • 1,2,3-Propanetricarboxylic acid, 1,1′-[(1S,2R)-1-[(2S,11S,12S)-12-amino-11-hydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl] ester, (2R,2′R)-
  • Fumonisin B4

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